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

C9H14O2 — CID 12635158

IUPAC(2-methylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCC=C1C
InChIInChI=1S/C9H14O2/c1-7-5-3-4-6-9(7)11-8(2)10/h5,9H,3-4,6H2,1-2H3
InChIKeyJTMQTZAUJUNVBD-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

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

(2-methylcyclohex-2-en-1-yl) acetate (PubChem CID 12635158) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2-methylcyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(2-methylcyclohex-2-en-1-yl) acetate
PubChem CID12635158
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2-methylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCC=C1C
InChIInChI=1S/C9H14O2/c1-7-5-3-4-6-9(7)11-8(2)10/h5,9H,3-4,6H2,1-2H3
InChIKeyJTMQTZAUJUNVBD-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 (2-methylcyclohex-2-en-1-yl) acetate?
The IUPAC name of (2-methylcyclohex-2-en-1-yl) acetate (CID 12635158) is (2-methylcyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (2-methylcyclohex-2-en-1-yl) acetate?
The canonical SMILES for (2-methylcyclohex-2-en-1-yl) acetate is CC(=O)OC1CCCC=C1C.
What is the InChIKey of (2-methylcyclohex-2-en-1-yl) acetate?
The InChIKey is JTMQTZAUJUNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-5-3-4-6-9(7)11-8(2)10/h5,9H,3-4,6H2,1-2H3.
What are the key properties of (2-methylcyclohex-2-en-1-yl) acetate?
(2-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 (2-methylcyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 12635158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).