(1-ethenyl-2-methylcyclohexyl) acetate

C11H18O2 — CID 13293646

IUPAC(1-ethenyl-2-methylcyclohexyl) acetate
SMILESC=CC1(OC(C)=O)CCCCC1C
InChIInChI=1S/C11H18O2/c1-4-11(13-10(3)12)8-6-5-7-9(11)2/h4,9H,1,5-8H2,2-3H3
InChIKeyNRABZRSEONIORB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About (1-ethenyl-2-methylcyclohexyl) acetate

(1-ethenyl-2-methylcyclohexyl) acetate (PubChem CID 13293646) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1-ethenyl-2-methylcyclohexyl) acetate.

Molecular Properties

Compound Name(1-ethenyl-2-methylcyclohexyl) acetate
PubChem CID13293646
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1-ethenyl-2-methylcyclohexyl) acetate
SMILESC=CC1(OC(C)=O)CCCCC1C
InChIInChI=1S/C11H18O2/c1-4-11(13-10(3)12)8-6-5-7-9(11)2/h4,9H,1,5-8H2,2-3H3
InChIKeyNRABZRSEONIORB-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
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 (1-ethenyl-2-methylcyclohexyl) acetate?
The IUPAC name of (1-ethenyl-2-methylcyclohexyl) acetate (CID 13293646) is (1-ethenyl-2-methylcyclohexyl) acetate.
What is the SMILES notation for (1-ethenyl-2-methylcyclohexyl) acetate?
The canonical SMILES for (1-ethenyl-2-methylcyclohexyl) acetate is C=CC1(OC(C)=O)CCCCC1C.
What is the InChIKey of (1-ethenyl-2-methylcyclohexyl) acetate?
The InChIKey is NRABZRSEONIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(13-10(3)12)8-6-5-7-9(11)2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of (1-ethenyl-2-methylcyclohexyl) acetate?
(1-ethenyl-2-methylcyclohexyl) acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-2-methylcyclohexyl) acetate is sourced from PubChem (CID 13293646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).