2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate

C107H162O16 — CID 161160267

IUPAC2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CCCCC1.C=CC(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(CC)CC2CC1C1CCCC21.C=CC(=O)OC1(CC)CCCC1.C=CC(=O)OC1(CC)CCCCC1
InChIInChI=1S/2C16H24O2.2C15H22O2.C14H20O2.C11H18O2.2C10H16O2/c1-4-14(17)18-15(2,3)16-8-11-5-12(9-16)7-13(6-11)10-16;1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10;1-3-14(16)17-15(4-2)9-10-8-13(15)12-7-5-6-11(10)12;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9;1-3-10(12)13-11(4-2)8-6-5-7-9-11;1-3-9(11)12-10(2)7-5-4-6-8-10;1-3-9(11)12-10(4-2)7-5-6-8-10/h4,11-13H,1,5-10H2,2-3H3;4,10-14H,1,5-9H2,2-3H3;2*3,10-13H,1,4-9H2,2H3;3,9-12H,1,4-8H2,2H3;3H,1,4-9H2,2H3;2*3H,1,4-8H2,2H3
InChIKeyUPVFDPFJZQBHTN-UHFFFAOYSA-N
MW1704.46 g/mol
LogP24.55
Rot. Bonds22

About 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate

2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate (PubChem CID 161160267) has the molecular formula C107H162O16 and a molecular weight of 1704.46 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate
PubChem CID161160267
Molecular FormulaC107H162O16
Molecular Weight1704.46 g/mol
Exact Mass1703.19
IUPAC Name2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CCCCC1.C=CC(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(CC)CC2CC1C1CCCC21.C=CC(=O)OC1(CC)CCCC1.C=CC(=O)OC1(CC)CCCCC1
InChIInChI=1S/2C16H24O2.2C15H22O2.C14H20O2.C11H18O2.2C10H16O2/c1-4-14(17)18-15(2,3)16-8-11-5-12(9-16)7-13(6-11)10-16;1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10;1-3-14(16)17-15(4-2)9-10-8-13(15)12-7-5-6-11(10)12;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9;1-3-10(12)13-11(4-2)8-6-5-7-9-11;1-3-9(11)12-10(2)7-5-4-6-8-10;1-3-9(11)12-10(4-2)7-5-6-8-10/h4,11-13H,1,5-10H2,2-3H3;4,10-14H,1,5-9H2,2-3H3;2*3,10-13H,1,4-9H2,2H3;3,9-12H,1,4-8H2,2H3;3H,1,4-9H2,2H3;2*3H,1,4-8H2,2H3
InChIKeyUPVFDPFJZQBHTN-UHFFFAOYSA-N
XLogP24.55
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.46
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?
The IUPAC name of 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate (CID 161160267) is 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate.
What is the SMILES notation for 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?
The canonical SMILES for 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate is C=CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CCCCC1.C=CC(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(CC)CC2CC1C1CCCC21.C=CC(=O)OC1(CC)CCCC1.C=CC(=O)OC1(CC)CCCCC1.
What is the InChIKey of 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?
The InChIKey is UPVFDPFJZQBHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24O2.2C15H22O2.C14H20O2.C11H18O2.2C10H16O2/c1-4-14(17)18-15(2,3)16-8-11-5-12(9-16)7-13(6-11)10-16;1-4-15(17)18-16(10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10;1-3-14(16)17-15(4-2)9-10-8-13(15)12-7-5-6-11(10)12;1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9;1-3-10(12)13-11(4-2)8-6-5-7-9-11;1-3-9(11)12-10(2)7-5-4-6-8-10;1-3-9(11)12-10(4-2)7-5-6-8-10/h4,11-13H,1,5-10H2,2-3H3;4,10-14H,1,5-9H2,2-3H3;2*3,10-13H,1,4-9H2,2H3;3,9-12H,1,4-8H2,2H3;3H,1,4-9H2,2H3;2*3H,1,4-8H2,2H3.
What are the key properties of 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate?
2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate has a molecular weight of 1704.46 g/mol, XLogP of 24.55, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-yl prop-2-enoate;(2-ethyl-2-adamantyl) prop-2-enoate;(1-ethylcyclohexyl) prop-2-enoate;(1-ethylcyclopentyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(2-methyl-2-adamantyl) prop-2-enoate;(1-methylcyclohexyl) prop-2-enoate;(2-propan-2-yl-2-adamantyl) prop-2-enoate is sourced from PubChem (CID 161160267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).