[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate

C11H20O3 — CID 15183497

IUPAC[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1CCCO
InChIInChI=1S/C11H20O3/c1-9(13)14-11-7-3-2-5-10(11)6-4-8-12/h10-12H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyDIQQUSCPKZIGTE-WDEREUQCSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds4

About [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate

[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate (PubChem CID 15183497) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate
PubChem CID15183497
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1CCCO
InChIInChI=1S/C11H20O3/c1-9(13)14-11-7-3-2-5-10(11)6-4-8-12/h10-12H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyDIQQUSCPKZIGTE-WDEREUQCSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
sodium;hydride;(2-pentylcyclobutyl) acetate
CID 175295819
(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-ol
CID 70178632
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
(2-propylcyclohexyl) propanoate
CID 101311520
(3-ethyl-2-methylcyclohexyl) acetate
CID 146440367
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
methyl 4-(2-methoxycyclohexyl)butanoate
CID 12546372
2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
CID 123999633
[(1R,2S,6S)-2-butyl-6-hydroxycyclohexyl] acetate
CID 10420794

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate?
The IUPAC name of [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate (CID 15183497) is [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate.
What is the SMILES notation for [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate?
The canonical SMILES for [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate is CC(=O)O[C@@H]1CCCC[C@H]1CCCO.
What is the InChIKey of [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate?
The InChIKey is DIQQUSCPKZIGTE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(13)14-11-7-3-2-5-10(11)6-4-8-12/h10-12H,2-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate?
[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate is sourced from PubChem (CID 15183497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).