(1-ethenyl-2-propan-2-ylcyclohexyl) acetate

C13H22O2 — CID 13293649

IUPAC(1-ethenyl-2-propan-2-ylcyclohexyl) acetate
SMILESC=CC1(OC(C)=O)CCCCC1C(C)C
InChIInChI=1S/C13H22O2/c1-5-13(15-11(4)14)9-7-6-8-12(13)10(2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyHBUORIVOMUAHKR-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds3

About (1-ethenyl-2-propan-2-ylcyclohexyl) acetate

(1-ethenyl-2-propan-2-ylcyclohexyl) acetate (PubChem CID 13293649) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-ethenyl-2-propan-2-ylcyclohexyl) acetate.

Molecular Properties

Compound Name(1-ethenyl-2-propan-2-ylcyclohexyl) acetate
PubChem CID13293649
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1-ethenyl-2-propan-2-ylcyclohexyl) acetate
SMILESC=CC1(OC(C)=O)CCCCC1C(C)C
InChIInChI=1S/C13H22O2/c1-5-13(15-11(4)14)9-7-6-8-12(13)10(2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyHBUORIVOMUAHKR-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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

Cyclohexanol, 1-ethenyl-2-(1-methylpropyl)-, 1-acetate
CID 162248
1,5,9,13-Tetramethyl-1-vinyltetradecyl acetate
CID 94042
3-Methylnon-1-en-3-yl acetate
CID 20392145
[(1S,2R)-1-ethenyl-2-methylcyclohexyl] acetate
CID 134900753
1-Ethenylcyclohexyl acetate
CID 233266
Ethyl-1-vinylcyclohexanol acetate
CID 13293648
Trimethyl cyclohexyl acrylate
CID 21951090
(1-Ethenylcyclohexyl) propanoate
CID 21115640
(4-Tert-butyl-1-ethenylcyclohexyl) acetate
CID 13095675
(1-Ethenyl-2-methylcyclohexyl) acetate
CID 13293646
2-Cyclohexylpenta-3,4-dien-2-yl acetate
CID 16101512
[(1S,2R)-2-but-3-enyl-1-ethynylcyclohexyl] prop-2-enoate
CID 101153126

Frequently Asked Questions

What is the IUPAC name of (1-ethenyl-2-propan-2-ylcyclohexyl) acetate?
The IUPAC name of (1-ethenyl-2-propan-2-ylcyclohexyl) acetate (CID 13293649) is (1-ethenyl-2-propan-2-ylcyclohexyl) acetate.
What is the SMILES notation for (1-ethenyl-2-propan-2-ylcyclohexyl) acetate?
The canonical SMILES for (1-ethenyl-2-propan-2-ylcyclohexyl) acetate is C=CC1(OC(C)=O)CCCCC1C(C)C.
What is the InChIKey of (1-ethenyl-2-propan-2-ylcyclohexyl) acetate?
The InChIKey is HBUORIVOMUAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-13(15-11(4)14)9-7-6-8-12(13)10(2)3/h5,10,12H,1,6-9H2,2-4H3.
What are the key properties of (1-ethenyl-2-propan-2-ylcyclohexyl) acetate?
(1-ethenyl-2-propan-2-ylcyclohexyl) acetate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-2-propan-2-ylcyclohexyl) acetate is sourced from PubChem (CID 13293649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).