4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C8H14O — CID 89027502

IUPAC4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC1CCC2COCC12
InChIInChI=1S/C8H14O/c1-6-2-3-7-4-9-5-8(6)7/h6-8H,2-5H2,1H3
InChIKeyZQTPXHKHRDJLJF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds

About 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 89027502) 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-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID89027502
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC1CCC2COCC12
InChIInChI=1S/C8H14O/c1-6-2-3-7-4-9-5-8(6)7/h6-8H,2-5H2,1H3
InChIKeyZQTPXHKHRDJLJF-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan with MolForge

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Related Compounds

3-Oxabicyclo[3.3.0]octane
CID 10920475
cis-3-Oxabicyclo[3.3.0]octane
CID 15360282
1,2,4,5,6,6a,7,8,9,9a-Decahydrocyclopenta[d]oxocine
CID 57311611
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
6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039398
3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039402
(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039403
4,6-Diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan
CID 20743812
4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 20743823
1-(Methoxymethyl)-2,3,4-trimethylcyclopentane
CID 21019492
(3R,6R)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 54389242

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 89027502) is 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is CC1CCC2COCC12.
What is the InChIKey of 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is ZQTPXHKHRDJLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-2-3-7-4-9-5-8(6)7/h6-8H,2-5H2,1H3.
What are the key properties of 4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 126.20 g/mol, XLogP of 1.68, 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-1H-cyclopenta[c]furan is sourced from PubChem (CID 89027502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).