[(1S)-1-cyclohexylprop-2-enyl] acetate

C11H18O2 — CID 102474246

IUPAC[(1S)-1-cyclohexylprop-2-enyl] acetate
SMILESC=C[C@H](OC(C)=O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3,10-11H,1,4-8H2,2H3/t11-/m0/s1
InChIKeyBJKMROSLRRZCSZ-NSHDSACASA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About [(1S)-1-cyclohexylprop-2-enyl] acetate

[(1S)-1-cyclohexylprop-2-enyl] acetate (PubChem CID 102474246) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(1S)-1-cyclohexylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(1S)-1-cyclohexylprop-2-enyl] acetate
PubChem CID102474246
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(1S)-1-cyclohexylprop-2-enyl] acetate
SMILESC=C[C@H](OC(C)=O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3,10-11H,1,4-8H2,2H3/t11-/m0/s1
InChIKeyBJKMROSLRRZCSZ-NSHDSACASA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexylbut-3-enyl acetate
CID 11481011
[(1S)-1-cyclohexyl-2,2-difluorobut-3-enyl] acetate
CID 101216406
1-cyclopentylethyl acetate
CID 12705472
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
CID 23254791
methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate
CID 134960267
1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate
CID 146653192
(1-cyclohexyl-4-methylpent-4-en-2-ynyl) acetate
CID 11506809
[(E)-1-cyclohexyl-4-[dimethyl(phenyl)silyl]pent-2-enyl] acetate
CID 10688850
dimethyl 2-[(1R)-1-cyclohexylprop-2-enyl]propanedioate
CID 102383216

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexylprop-2-enyl] acetate?
The IUPAC name of [(1S)-1-cyclohexylprop-2-enyl] acetate (CID 102474246) is [(1S)-1-cyclohexylprop-2-enyl] acetate.
What is the SMILES notation for [(1S)-1-cyclohexylprop-2-enyl] acetate?
The canonical SMILES for [(1S)-1-cyclohexylprop-2-enyl] acetate is C=C[C@H](OC(C)=O)C1CCCCC1.
What is the InChIKey of [(1S)-1-cyclohexylprop-2-enyl] acetate?
The InChIKey is BJKMROSLRRZCSZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3,10-11H,1,4-8H2,2H3/t11-/m0/s1.
What are the key properties of [(1S)-1-cyclohexylprop-2-enyl] acetate?
[(1S)-1-cyclohexylprop-2-enyl] acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclohexylprop-2-enyl] acetate is sourced from PubChem (CID 102474246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).