(3-cyclohexyl-1-hydroxypropyl) acetate

C11H20O3 — CID 91329092

IUPAC(3-cyclohexyl-1-hydroxypropyl) acetate
SMILESCC(=O)OC(O)CCC1CCCCC1
InChIInChI=1S/C11H20O3/c1-9(12)14-11(13)8-7-10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3
InChIKeyZWDHJGORRIBXBB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.23
Rot. Bonds4

About (3-cyclohexyl-1-hydroxypropyl) acetate

(3-cyclohexyl-1-hydroxypropyl) acetate (PubChem CID 91329092) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3-cyclohexyl-1-hydroxypropyl) acetate.

Molecular Properties

Compound Name(3-cyclohexyl-1-hydroxypropyl) acetate
PubChem CID91329092
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3-cyclohexyl-1-hydroxypropyl) acetate
SMILESCC(=O)OC(O)CCC1CCCCC1
InChIInChI=1S/C11H20O3/c1-9(12)14-11(13)8-7-10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3
InChIKeyZWDHJGORRIBXBB-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Cyclohexylmethane-1,1-diol diacetate
CID 537139
(2r,6s)-2,6-Dimethyl-8-hydroxyoctyl acetate
CID 129801922
1-Hydroxyethyl cyclohexanecarboxylate
CID 53789972
1-Octanolacetat
CID 129771074
Acetic acid;2-cyclohexylethanol
CID 69234859
1-(Cyclohexylmethoxy)-2-fluoro-2-methylbutan-1-ol
CID 91001455
(2-Cyclohexyl-1-hydroxyethyl) 2-fluoroacetate
CID 144561234
Cyclohexyl(propan-2-yloxy)methanol
CID 53719640
1-(Cyclohexylmethoxy)-2,4-dimethylpentan-1-ol
CID 141837968
1-(3-Methylbutoxy)-2-(4-methylcyclohexyl)ethanol
CID 174965331
[(1R,2S)-2-(hydroxymethyl)cyclohexyl]methyl acetate
CID 13539129
2-Cyclohexyl-1,3-propanediol monoacetate
CID 13701734

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1-hydroxypropyl) acetate?
The IUPAC name of (3-cyclohexyl-1-hydroxypropyl) acetate (CID 91329092) is (3-cyclohexyl-1-hydroxypropyl) acetate.
What is the SMILES notation for (3-cyclohexyl-1-hydroxypropyl) acetate?
The canonical SMILES for (3-cyclohexyl-1-hydroxypropyl) acetate is CC(=O)OC(O)CCC1CCCCC1.
What is the InChIKey of (3-cyclohexyl-1-hydroxypropyl) acetate?
The InChIKey is ZWDHJGORRIBXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(12)14-11(13)8-7-10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3.
What are the key properties of (3-cyclohexyl-1-hydroxypropyl) acetate?
(3-cyclohexyl-1-hydroxypropyl) acetate has a molecular weight of 200.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1-hydroxypropyl) acetate is sourced from PubChem (CID 91329092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).