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

C9H16O — CID 14039402

IUPAC3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1COC2C(C)CCC12
InChIInChI=1S/C9H16O/c1-6-3-4-8-7(2)5-10-9(6)8/h6-9H,3-5H2,1-2H3
InChIKeyVFLMKAODUSCWQL-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds

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

3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 14039402) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID14039402
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1COC2C(C)CCC12
InChIInChI=1S/C9H16O/c1-6-3-4-8-7(2)5-10-9(6)8/h6-9H,3-5H2,1-2H3
InChIKeyVFLMKAODUSCWQL-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 14039402) is 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is CC1COC2C(C)CCC12.
What is the InChIKey of 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is VFLMKAODUSCWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-3-4-8-7(2)5-10-9(6)8/h6-9H,3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 140.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 14039402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).