cyclohex-2-en-1-yl acetate;methane

C9H16O2 — CID 159882311

IUPACcyclohex-2-en-1-yl acetate;methane
SMILESC.CC(=O)OC1C=CCCC1
InChIInChI=1S/C8H12O2.CH4/c1-7(9)10-8-5-3-2-4-6-8;/h3,5,8H,2,4,6H2,1H3;1H4
InChIKeyNTRGZFIKVODQLX-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds1

About cyclohex-2-en-1-yl acetate;methane

cyclohex-2-en-1-yl acetate;methane (PubChem CID 159882311) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cyclohex-2-en-1-yl acetate;methane.

Molecular Properties

Compound Namecyclohex-2-en-1-yl acetate;methane
PubChem CID159882311
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecyclohex-2-en-1-yl acetate;methane
SMILESC.CC(=O)OC1C=CCCC1
InChIInChI=1S/C8H12O2.CH4/c1-7(9)10-8-5-3-2-4-6-8;/h3,5,8H,2,4,6H2,1H3;1H4
InChIKeyNTRGZFIKVODQLX-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
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 cyclohex-2-en-1-yl acetate;methane?
The IUPAC name of cyclohex-2-en-1-yl acetate;methane (CID 159882311) is cyclohex-2-en-1-yl acetate;methane.
What is the SMILES notation for cyclohex-2-en-1-yl acetate;methane?
The canonical SMILES for cyclohex-2-en-1-yl acetate;methane is C.CC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl acetate;methane?
The InChIKey is NTRGZFIKVODQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.CH4/c1-7(9)10-8-5-3-2-4-6-8;/h3,5,8H,2,4,6H2,1H3;1H4.
What are the key properties of cyclohex-2-en-1-yl acetate;methane?
cyclohex-2-en-1-yl acetate;methane has a molecular weight of 156.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl acetate;methane is sourced from PubChem (CID 159882311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).