ethane;(4-methylcyclohex-2-en-1-yl) acetate

C11H20O2 — CID 142062664

IUPACethane;(4-methylcyclohex-2-en-1-yl) acetate
SMILESCC.CC(=O)OC1C=CC(C)CC1
InChIInChI=1S/C9H14O2.C2H6/c1-7-3-5-9(6-4-7)11-8(2)10;1-2/h3,5,7,9H,4,6H2,1-2H3;1-2H3
InChIKeyADDICMAOYPSGAD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds1

About ethane;(4-methylcyclohex-2-en-1-yl) acetate

ethane;(4-methylcyclohex-2-en-1-yl) acetate (PubChem CID 142062664) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;(4-methylcyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Nameethane;(4-methylcyclohex-2-en-1-yl) acetate
PubChem CID142062664
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethane;(4-methylcyclohex-2-en-1-yl) acetate
SMILESCC.CC(=O)OC1C=CC(C)CC1
InChIInChI=1S/C9H14O2.C2H6/c1-7-3-5-9(6-4-7)11-8(2)10;1-2/h3,5,7,9H,4,6H2,1-2H3;1-2H3
InChIKeyADDICMAOYPSGAD-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
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 ethane;(4-methylcyclohex-2-en-1-yl) acetate?
The IUPAC name of ethane;(4-methylcyclohex-2-en-1-yl) acetate (CID 142062664) is ethane;(4-methylcyclohex-2-en-1-yl) acetate.
What is the SMILES notation for ethane;(4-methylcyclohex-2-en-1-yl) acetate?
The canonical SMILES for ethane;(4-methylcyclohex-2-en-1-yl) acetate is CC.CC(=O)OC1C=CC(C)CC1.
What is the InChIKey of ethane;(4-methylcyclohex-2-en-1-yl) acetate?
The InChIKey is ADDICMAOYPSGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C2H6/c1-7-3-5-9(6-4-7)11-8(2)10;1-2/h3,5,7,9H,4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-methylcyclohex-2-en-1-yl) acetate?
ethane;(4-methylcyclohex-2-en-1-yl) acetate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylcyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 142062664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).