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

C8H14O — CID 14039400

IUPAC3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1COC2CCCC12
InChIInChI=1S/C8H14O/c1-6-5-9-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3
InChIKeyVRLNGSKYBDAUKX-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

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

3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 14039400) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID14039400
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1COC2CCCC12
InChIInChI=1S/C8H14O/c1-6-5-9-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3
InChIKeyVRLNGSKYBDAUKX-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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 14039400) is 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is CC1COC2CCCC12.
What is the InChIKey of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is VRLNGSKYBDAUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-5-9-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3.
What are the key properties of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
3-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 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 14039400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).