[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate

C103H156O23 — CID 159284646

IUPAC[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCCC1.C=C(C)C(=O)OC1(C2CC3(CO)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(CO)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC(C)=O)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCCC1
InChIInChI=1S/C18H26O5.C18H28O4.C18H28O3.C17H26O3.2C16H24O4/c1-12(2)16(20)23-17(7-4-5-8-17)15-10-14-6-9-18(15,22-14)11-21-13(3)19;1-13(2)16(19)22-17(8-5-4-6-9-17)15-11-14-7-10-18(15,21-14)12-20-3;1-4-17-11-8-15(20-17)14(12-17)18(9-6-5-7-10-18)21-16(19)13(2)3;1-4-16-10-7-14(19-16)13(11-16)17(8-5-6-9-17)20-15(18)12(2)3;1-11(2)14(18)20-16(6-3-4-7-16)12-9-15(10-17)8-5-13(12)19-15;1-11(2)14(18)20-15(6-3-4-7-15)13-9-12-5-8-16(13,10-17)19-12/h14-15H,1,4-11H2,2-3H3;14-15H,1,4-12H2,2-3H3;14-15H,2,4-12H2,1,3H3;13-14H,2,4-11H2,1,3H3;2*12-13,17H,1,3-10H2,2H3
InChIKeyKZIXIIYARHGGMJ-UHFFFAOYSA-N
MW1762.36 g/mol
LogP18.93
Rot. Bonds26

About [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate

[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 159284646) has the molecular formula C103H156O23 and a molecular weight of 1762.36 g/mol. Its IUPAC name is [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID159284646
Molecular FormulaC103H156O23
Molecular Weight1762.36 g/mol
Exact Mass1761.10
IUPAC Name[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCCC1.C=C(C)C(=O)OC1(C2CC3(CO)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(CO)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC(C)=O)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCCC1
InChIInChI=1S/C18H26O5.C18H28O4.C18H28O3.C17H26O3.2C16H24O4/c1-12(2)16(20)23-17(7-4-5-8-17)15-10-14-6-9-18(15,22-14)11-21-13(3)19;1-13(2)16(19)22-17(8-5-4-6-9-17)15-11-14-7-10-18(15,21-14)12-20-3;1-4-17-11-8-15(20-17)14(12-17)18(9-6-5-7-10-18)21-16(19)13(2)3;1-4-16-10-7-14(19-16)13(11-16)17(8-5-6-9-17)20-15(18)12(2)3;1-11(2)14(18)20-16(6-3-4-7-16)12-9-15(10-17)8-5-13(12)19-15;1-11(2)14(18)20-15(6-3-4-7-15)13-9-12-5-8-16(13,10-17)19-12/h14-15H,1,4-11H2,2-3H3;14-15H,1,4-12H2,2-3H3;14-15H,2,4-12H2,1,3H3;13-14H,2,4-11H2,1,3H3;2*12-13,17H,1,3-10H2,2H3
InChIKeyKZIXIIYARHGGMJ-UHFFFAOYSA-N
XLogP18.93
TPSA289.17 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.36
LogP ≤ 518.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate (CID 159284646) is [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3(CC)CCC2O3)CCCCC1.C=C(C)C(=O)OC1(C2CC3(CO)CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(CO)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC(C)=O)O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2(COC)O3)CCCCC1.
What is the InChIKey of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is KZIXIIYARHGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5.C18H28O4.C18H28O3.C17H26O3.2C16H24O4/c1-12(2)16(20)23-17(7-4-5-8-17)15-10-14-6-9-18(15,22-14)11-21-13(3)19;1-13(2)16(19)22-17(8-5-4-6-9-17)15-11-14-7-10-18(15,21-14)12-20-3;1-4-17-11-8-15(20-17)14(12-17)18(9-6-5-7-10-18)21-16(19)13(2)3;1-4-16-10-7-14(19-16)13(11-16)17(8-5-6-9-17)20-15(18)12(2)3;1-11(2)14(18)20-16(6-3-4-7-16)12-9-15(10-17)8-5-13(12)19-15;1-11(2)14(18)20-15(6-3-4-7-15)13-9-12-5-8-16(13,10-17)19-12/h14-15H,1,4-11H2,2-3H3;14-15H,1,4-12H2,2-3H3;14-15H,2,4-12H2,1,3H3;13-14H,2,4-11H2,1,3H3;2*12-13,17H,1,3-10H2,2H3.
What are the key properties of [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 1762.36 g/mol, XLogP of 18.93, 26 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159284646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).