2-(2-methylpropylidene)cyclopentane-1,3-diol

C9H16O2 — CID 3986907

IUPAC2-(2-methylpropylidene)cyclopentane-1,3-diol
SMILESCC(C)C=C1C(O)CCC1O
InChIInChI=1S/C9H16O2/c1-6(2)5-7-8(10)3-4-9(7)11/h5-6,8-11H,3-4H2,1-2H3
InChIKeySQZAUSBPWDUXJK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.08
Rot. Bonds1

About 2-(2-methylpropylidene)cyclopentane-1,3-diol

2-(2-methylpropylidene)cyclopentane-1,3-diol (PubChem CID 3986907) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(2-methylpropylidene)cyclopentane-1,3-diol.

Molecular Properties

Compound Name2-(2-methylpropylidene)cyclopentane-1,3-diol
PubChem CID3986907
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(2-methylpropylidene)cyclopentane-1,3-diol
SMILESCC(C)C=C1C(O)CCC1O
InChIInChI=1S/C9H16O2/c1-6(2)5-7-8(10)3-4-9(7)11/h5-6,8-11H,3-4H2,1-2H3
InChIKeySQZAUSBPWDUXJK-UHFFFAOYSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylidene)cyclopentane-1,3-diol?
The IUPAC name of 2-(2-methylpropylidene)cyclopentane-1,3-diol (CID 3986907) is 2-(2-methylpropylidene)cyclopentane-1,3-diol.
What is the SMILES notation for 2-(2-methylpropylidene)cyclopentane-1,3-diol?
The canonical SMILES for 2-(2-methylpropylidene)cyclopentane-1,3-diol is CC(C)C=C1C(O)CCC1O.
What is the InChIKey of 2-(2-methylpropylidene)cyclopentane-1,3-diol?
The InChIKey is SQZAUSBPWDUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)5-7-8(10)3-4-9(7)11/h5-6,8-11H,3-4H2,1-2H3.
What are the key properties of 2-(2-methylpropylidene)cyclopentane-1,3-diol?
2-(2-methylpropylidene)cyclopentane-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylidene)cyclopentane-1,3-diol is sourced from PubChem (CID 3986907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).