4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one

C12H22O3 — CID 82254286

IUPAC4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one
SMILESCC(C)(O)C(=O)CCC1(O)CCCCC1
InChIInChI=1S/C12H22O3/c1-11(2,14)10(13)6-9-12(15)7-4-3-5-8-12/h14-15H,3-9H2,1-2H3
InChIKeyIKUXREHZYYUQJM-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.80
Rot. Bonds4

About 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one

4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one (PubChem CID 82254286) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one
PubChem CID82254286
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one
SMILESCC(C)(O)C(=O)CCC1(O)CCCCC1
InChIInChI=1S/C12H22O3/c1-11(2,14)10(13)6-9-12(15)7-4-3-5-8-12/h14-15H,3-9H2,1-2H3
InChIKeyIKUXREHZYYUQJM-UHFFFAOYSA-N
XLogP1.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one
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aluminum tris(4-(1-hydroxycyclohexyl)butanoate)
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ethyl 3-(1-hydroxycyclobutyl)propanoate
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1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-ol
CID 130445471
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one?
The IUPAC name of 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one (CID 82254286) is 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one.
What is the SMILES notation for 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one?
The canonical SMILES for 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one is CC(C)(O)C(=O)CCC1(O)CCCCC1.
What is the InChIKey of 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one?
The InChIKey is IKUXREHZYYUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,14)10(13)6-9-12(15)7-4-3-5-8-12/h14-15H,3-9H2,1-2H3.
What are the key properties of 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one?
4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one has a molecular weight of 214.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one is sourced from PubChem (CID 82254286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).