(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol

C9H16O2 — CID 130151002

IUPAC(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
SMILESCC1COC2CCCC12CO
InChIInChI=1S/C9H16O2/c1-7-5-11-8-3-2-4-9(7,8)6-10/h7-8,10H,2-6H2,1H3
InChIKeyOBWQTTCKCWRQPT-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.18
Rot. Bonds1

About (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol

(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol (PubChem CID 130151002) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
PubChem CID130151002
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
SMILESCC1COC2CCCC12CO
InChIInChI=1S/C9H16O2/c1-7-5-11-8-3-2-4-9(7,8)6-10/h7-8,10H,2-6H2,1H3
InChIKeyOBWQTTCKCWRQPT-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol 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 (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol?
The IUPAC name of (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol (CID 130151002) is (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol.
What is the SMILES notation for (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol?
The canonical SMILES for (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol is CC1COC2CCCC12CO.
What is the InChIKey of (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol?
The InChIKey is OBWQTTCKCWRQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-11-8-3-2-4-9(7,8)6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol?
(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol is sourced from PubChem (CID 130151002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).