1-cyclopropyl-1-hydroxy-4-methylhexan-2-one

C10H18O2 — CID 103455899

IUPAC1-cyclopropyl-1-hydroxy-4-methylhexan-2-one
SMILESCCC(C)CC(=O)C(O)C1CC1
InChIInChI=1S/C10H18O2/c1-3-7(2)6-9(11)10(12)8-4-5-8/h7-8,10,12H,3-6H2,1-2H3
InChIKeyWIBFECUQKKTHGG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds5

About 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one

1-cyclopropyl-1-hydroxy-4-methylhexan-2-one (PubChem CID 103455899) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-hydroxy-4-methylhexan-2-one
PubChem CID103455899
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-cyclopropyl-1-hydroxy-4-methylhexan-2-one
SMILESCCC(C)CC(=O)C(O)C1CC1
InChIInChI=1S/C10H18O2/c1-3-7(2)6-9(11)10(12)8-4-5-8/h7-8,10,12H,3-6H2,1-2H3
InChIKeyWIBFECUQKKTHGG-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
CID 103457590
3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
CID 65424663
1-cyclopropyl-1-hydroxy-3-propoxypropan-2-one
CID 103455690
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
ethyl (3R)-3-methylpentanoate
CID 7567160
4-amino-3,7-dimethylnonan-5-one
CID 116552681
2-ethoxy-5-methylheptan-3-one
CID 64540469
1-(4-aminocyclohexyl)-3-methylpentan-1-one
CID 116557256
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
CID 103457527
1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one?
The IUPAC name of 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one (CID 103455899) is 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one?
The canonical SMILES for 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one is CCC(C)CC(=O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one?
The InChIKey is WIBFECUQKKTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7(2)6-9(11)10(12)8-4-5-8/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one?
1-cyclopropyl-1-hydroxy-4-methylhexan-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-hydroxy-4-methylhexan-2-one is sourced from PubChem (CID 103455899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).