cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one

C9H16O2 — CID 101106024

IUPACcis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one
SMILESCCC[C@@H]1CC(=O)C[C@H](O)C1
InChIInChI=1S/C9H16O2/c1-2-3-7-4-8(10)6-9(11)5-7/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyHNXRNEHZCCSCOU-JGVFFNPUSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one

cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one (PubChem CID 101106024) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one
PubChem CID101106024
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one
SMILESCCC[C@@H]1CC(=O)C[C@H](O)C1
InChIInChI=1S/C9H16O2/c1-2-3-7-4-8(10)6-9(11)5-7/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyHNXRNEHZCCSCOU-JGVFFNPUSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one
CID 71082391
6-propylbicyclo[3.1.0]hexan-3-one
CID 72536529
8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740147
cis-(3R,5S)-3,5-bis(hydroxymethyl)cyclohexan-1-one
CID 13239186
3-(2-methylpropyl)-5-propylcyclohexan-1-ol
CID 58534540
2-(1-hydroxypropylidene)-5-propylcyclohexane-1,3-dione
CID 166518631
trans-(3S,5S)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexan-1-one
CID 11031159
2-ethyl-1-hydroxy-6-propylpiperidin-4-one
CID 154933974
3-(3-methylbut-3-enyl)cyclobutan-1-one
CID 123834136
(NZ)-N-(3-methyl-5-propylcyclohexylidene)hydroxylamine
CID 134250755
cis-(3R,5S)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-propylcyclohexan-1-one
CID 12788301

Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one?
The IUPAC name of cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one (CID 101106024) is cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one.
What is the SMILES notation for cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one?
The canonical SMILES for cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one is CCC[C@@H]1CC(=O)C[C@H](O)C1.
What is the InChIKey of cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one?
The InChIKey is HNXRNEHZCCSCOU-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-7-4-8(10)6-9(11)5-7/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one?
cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one is sourced from PubChem (CID 101106024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).