4-cyclopropylidene-3-methylpentan-2-ol

C9H16O — CID 12689017

IUPAC4-cyclopropylidene-3-methylpentan-2-ol
SMILESCC(=C1CC1)C(C)C(C)O
InChIInChI=1S/C9H16O/c1-6(8(3)10)7(2)9-4-5-9/h6,8,10H,4-5H2,1-3H3
InChIKeyQAKOXGIXMCVUAY-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds2

About 4-cyclopropylidene-3-methylpentan-2-ol

4-cyclopropylidene-3-methylpentan-2-ol (PubChem CID 12689017) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-cyclopropylidene-3-methylpentan-2-ol.

Molecular Properties

Compound Name4-cyclopropylidene-3-methylpentan-2-ol
PubChem CID12689017
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-cyclopropylidene-3-methylpentan-2-ol
SMILESCC(=C1CC1)C(C)C(C)O
InChIInChI=1S/C9H16O/c1-6(8(3)10)7(2)9-4-5-9/h6,8,10H,4-5H2,1-3H3
InChIKeyQAKOXGIXMCVUAY-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-cyclopropylidene-3-methylpentan-2-ol?
The IUPAC name of 4-cyclopropylidene-3-methylpentan-2-ol (CID 12689017) is 4-cyclopropylidene-3-methylpentan-2-ol.
What is the SMILES notation for 4-cyclopropylidene-3-methylpentan-2-ol?
The canonical SMILES for 4-cyclopropylidene-3-methylpentan-2-ol is CC(=C1CC1)C(C)C(C)O.
What is the InChIKey of 4-cyclopropylidene-3-methylpentan-2-ol?
The InChIKey is QAKOXGIXMCVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6(8(3)10)7(2)9-4-5-9/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropylidene-3-methylpentan-2-ol?
4-cyclopropylidene-3-methylpentan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-3-methylpentan-2-ol is sourced from PubChem (CID 12689017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).