6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

C14H22O2 — CID 69012866

IUPAC6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCOC1(C23CCCC2CCO3)C=CCCC1
InChIInChI=1S/C14H22O2/c1-15-13(8-3-2-4-9-13)14-10-5-6-12(14)7-11-16-14/h3,8,12H,2,4-7,9-11H2,1H3
InChIKeyVKMVYOAWWTUTEY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.07
Rot. Bonds2

About 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 69012866) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID69012866
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCOC1(C23CCCC2CCO3)C=CCCC1
InChIInChI=1S/C14H22O2/c1-15-13(8-3-2-4-9-13)14-10-5-6-12(14)7-11-16-14/h3,8,12H,2,4-7,9-11H2,1H3
InChIKeyVKMVYOAWWTUTEY-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan 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 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 69012866) is 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is COC1(C23CCCC2CCO3)C=CCCC1.
What is the InChIKey of 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is VKMVYOAWWTUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-15-13(8-3-2-4-9-13)14-10-5-6-12(14)7-11-16-14/h3,8,12H,2,4-7,9-11H2,1H3.
What are the key properties of 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 222.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(1-methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 69012866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).