(2,6-dimethylcyclohexyl) prop-2-enoate

C11H18O2 — CID 67392274

IUPAC(2,6-dimethylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CCCC1C
InChIInChI=1S/C11H18O2/c1-4-10(12)13-11-8(2)6-5-7-9(11)3/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyQQDWHCZLBJHZNS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About (2,6-dimethylcyclohexyl) prop-2-enoate

(2,6-dimethylcyclohexyl) prop-2-enoate (PubChem CID 67392274) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2,6-dimethylcyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(2,6-dimethylcyclohexyl) prop-2-enoate
PubChem CID67392274
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2,6-dimethylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CCCC1C
InChIInChI=1S/C11H18O2/c1-4-10(12)13-11-8(2)6-5-7-9(11)3/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyQQDWHCZLBJHZNS-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohexyl) prop-2-enoate?
The IUPAC name of (2,6-dimethylcyclohexyl) prop-2-enoate (CID 67392274) is (2,6-dimethylcyclohexyl) prop-2-enoate.
What is the SMILES notation for (2,6-dimethylcyclohexyl) prop-2-enoate?
The canonical SMILES for (2,6-dimethylcyclohexyl) prop-2-enoate is C=CC(=O)OC1C(C)CCCC1C.
What is the InChIKey of (2,6-dimethylcyclohexyl) prop-2-enoate?
The InChIKey is QQDWHCZLBJHZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-10(12)13-11-8(2)6-5-7-9(11)3/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of (2,6-dimethylcyclohexyl) prop-2-enoate?
(2,6-dimethylcyclohexyl) prop-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylcyclohexyl) prop-2-enoate is sourced from PubChem (CID 67392274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).