methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate

C18H28O3 — CID 135067761

IUPACmethyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(CCCC)CC(=C)C1CC(C(=O)OC)=C(C(C)C)O1
InChIInChI=1S/C18H28O3/c1-7-8-9-13(4)10-14(5)16-11-15(18(19)20-6)17(21-16)12(2)3/h12,16H,4-5,7-11H2,1-3,6H3
InChIKeyHFDNBQQJNDQCDU-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.55
Rot. Bonds8

About methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate

methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 135067761) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID135067761
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Namemethyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(CCCC)CC(=C)C1CC(C(=O)OC)=C(C(C)C)O1
InChIInChI=1S/C18H28O3/c1-7-8-9-13(4)10-14(5)16-11-15(18(19)20-6)17(21-16)12(2)3/h12,16H,4-5,7-11H2,1-3,6H3
InChIKeyHFDNBQQJNDQCDU-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate 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 methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate (CID 135067761) is methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(CCCC)CC(=C)C1CC(C(=O)OC)=C(C(C)C)O1.
What is the InChIKey of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is HFDNBQQJNDQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-7-8-9-13(4)10-14(5)16-11-15(18(19)20-6)17(21-16)12(2)3/h12,16H,4-5,7-11H2,1-3,6H3.
What are the key properties of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 135067761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).