hexan-1-ol;2-methylcyclopentan-1-one

C12H24O2 — CID 66801432

IUPAChexan-1-ol;2-methylcyclopentan-1-one
SMILESCC1CCCC1=O.CCCCCCO
InChIInChI=1S/C6H10O.C6H14O/c1-5-3-2-4-6(5)7;1-2-3-4-5-6-7/h5H,2-4H2,1H3;7H,2-6H2,1H3
InChIKeyIXUSDXUMLISWQT-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.93
Rot. Bonds4

About hexan-1-ol;2-methylcyclopentan-1-one

hexan-1-ol;2-methylcyclopentan-1-one (PubChem CID 66801432) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is hexan-1-ol;2-methylcyclopentan-1-one.

Molecular Properties

Compound Namehexan-1-ol;2-methylcyclopentan-1-one
PubChem CID66801432
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namehexan-1-ol;2-methylcyclopentan-1-one
SMILESCC1CCCC1=O.CCCCCCO
InChIInChI=1S/C6H10O.C6H14O/c1-5-3-2-4-6(5)7;1-2-3-4-5-6-7/h5H,2-4H2,1H3;7H,2-6H2,1H3
InChIKeyIXUSDXUMLISWQT-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;2-methylcyclopentan-1-one?
The IUPAC name of hexan-1-ol;2-methylcyclopentan-1-one (CID 66801432) is hexan-1-ol;2-methylcyclopentan-1-one.
What is the SMILES notation for hexan-1-ol;2-methylcyclopentan-1-one?
The canonical SMILES for hexan-1-ol;2-methylcyclopentan-1-one is CC1CCCC1=O.CCCCCCO.
What is the InChIKey of hexan-1-ol;2-methylcyclopentan-1-one?
The InChIKey is IXUSDXUMLISWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C6H14O/c1-5-3-2-4-6(5)7;1-2-3-4-5-6-7/h5H,2-4H2,1H3;7H,2-6H2,1H3.
What are the key properties of hexan-1-ol;2-methylcyclopentan-1-one?
hexan-1-ol;2-methylcyclopentan-1-one has a molecular weight of 200.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;2-methylcyclopentan-1-one is sourced from PubChem (CID 66801432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).