4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C8H14O — CID 13334307

IUPAC4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1CCC2OCCC12
InChIInChI=1S/C8H14O/c1-6-2-3-8-7(6)4-5-9-8/h6-8H,2-5H2,1H3
InChIKeyJKQXGVWOZZQYMS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

About 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 13334307) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID13334307
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1CCC2OCCC12
InChIInChI=1S/C8H14O/c1-6-2-3-8-7(6)4-5-9-8/h6-8H,2-5H2,1H3
InChIKeyJKQXGVWOZZQYMS-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[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

Related Compounds

Oxabicyclo(3,3,0)octan
CID 14039396
trans-2-Oxabicyclo[3.3.0]octane
CID 21595350
hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
6a-Methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 67559087
3,6,6a-Trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 135040130
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039397
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039400
5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 14310363
5-Tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 58008514
4,6-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 58210261
4,4,5-Trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan
CID 58645272
(3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 58779170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 13334307) is 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is CC1CCC2OCCC12.
What is the InChIKey of 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is JKQXGVWOZZQYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-2-3-8-7(6)4-5-9-8/h6-8H,2-5H2,1H3.
What are the key properties of 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 126.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 13334307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).