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

C9H14O — CID 59283383

IUPAC4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCC1CC(C)C2=C1CCO2
InChIInChI=1S/C9H14O/c1-6-5-7(2)9-8(6)3-4-10-9/h6-7H,3-5H2,1-2H3
InChIKeyANVZKJBUGVQIHG-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.34
Rot. Bonds

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

4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 59283383) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
PubChem CID59283383
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCC1CC(C)C2=C1CCO2
InChIInChI=1S/C9H14O/c1-6-5-7(2)9-8(6)3-4-10-9/h6-7H,3-5H2,1-2H3
InChIKeyANVZKJBUGVQIHG-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (CID 59283383) is 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is CC1CC(C)C2=C1CCO2.
What is the InChIKey of 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is ANVZKJBUGVQIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6-5-7(2)9-8(6)3-4-10-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 138.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 59283383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).