(3-ethenylcyclohexyl) acetate

C10H16O2 — CID 11084287

IUPAC(3-ethenylcyclohexyl) acetate
SMILESC=CC1CCCC(OC(C)=O)C1
InChIInChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3
InChIKeyMFFQZYIDSYOHOP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About (3-ethenylcyclohexyl) acetate

(3-ethenylcyclohexyl) acetate (PubChem CID 11084287) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-ethenylcyclohexyl) acetate.

Molecular Properties

Compound Name(3-ethenylcyclohexyl) acetate
PubChem CID11084287
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3-ethenylcyclohexyl) acetate
SMILESC=CC1CCCC(OC(C)=O)C1
InChIInChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3
InChIKeyMFFQZYIDSYOHOP-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethenylcyclohexyl) acetate?
The IUPAC name of (3-ethenylcyclohexyl) acetate (CID 11084287) is (3-ethenylcyclohexyl) acetate.
What is the SMILES notation for (3-ethenylcyclohexyl) acetate?
The canonical SMILES for (3-ethenylcyclohexyl) acetate is C=CC1CCCC(OC(C)=O)C1.
What is the InChIKey of (3-ethenylcyclohexyl) acetate?
The InChIKey is MFFQZYIDSYOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3.
What are the key properties of (3-ethenylcyclohexyl) acetate?
(3-ethenylcyclohexyl) acetate has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylcyclohexyl) acetate is sourced from PubChem (CID 11084287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).