1-cyclohexylethenyl acetate

C10H16O2 — CID 67570320

IUPAC1-cyclohexylethenyl acetate
SMILESC=C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h10H,1,3-7H2,2H3
InChIKeyNQNREXCDJXJCPG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.64
Rot. Bonds2

About 1-cyclohexylethenyl acetate

1-cyclohexylethenyl acetate (PubChem CID 67570320) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclohexylethenyl acetate.

Molecular Properties

Compound Name1-cyclohexylethenyl acetate
PubChem CID67570320
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cyclohexylethenyl acetate
SMILESC=C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h10H,1,3-7H2,2H3
InChIKeyNQNREXCDJXJCPG-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenyl acetate?
The IUPAC name of 1-cyclohexylethenyl acetate (CID 67570320) is 1-cyclohexylethenyl acetate.
What is the SMILES notation for 1-cyclohexylethenyl acetate?
The canonical SMILES for 1-cyclohexylethenyl acetate is C=C(OC(C)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethenyl acetate?
The InChIKey is NQNREXCDJXJCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h10H,1,3-7H2,2H3.
What are the key properties of 1-cyclohexylethenyl acetate?
1-cyclohexylethenyl acetate has a molecular weight of 168.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenyl acetate is sourced from PubChem (CID 67570320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).