(3-methylcyclohex-2-en-1-yl) acetate

C9H14O2 — CID 3018590

IUPAC(3-methylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=C(C)CCC1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3
InChIKeyLGVFVTJGGYGQOS-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

About (3-methylcyclohex-2-en-1-yl) acetate

(3-methylcyclohex-2-en-1-yl) acetate (PubChem CID 3018590) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3-methylcyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(3-methylcyclohex-2-en-1-yl) acetate
PubChem CID3018590
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3-methylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=C(C)CCC1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3
InChIKeyLGVFVTJGGYGQOS-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
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-methylcyclohex-2-en-1-yl) acetate?
The IUPAC name of (3-methylcyclohex-2-en-1-yl) acetate (CID 3018590) is (3-methylcyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (3-methylcyclohex-2-en-1-yl) acetate?
The canonical SMILES for (3-methylcyclohex-2-en-1-yl) acetate is CC(=O)OC1C=C(C)CCC1.
What is the InChIKey of (3-methylcyclohex-2-en-1-yl) acetate?
The InChIKey is LGVFVTJGGYGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3.
What are the key properties of (3-methylcyclohex-2-en-1-yl) acetate?
(3-methylcyclohex-2-en-1-yl) acetate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 3018590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).