(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate

C12H20O2 — CID 66694520

IUPAC(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C)CC1C
InChIInChI=1S/C12H20O2/c1-8(2)12(13)14-11-6-5-9(3)7-10(11)4/h9-11H,1,5-7H2,2-4H3
InChIKeyAABXLXJECDRJDR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate

(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 66694520) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
PubChem CID66694520
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C)CC1C
InChIInChI=1S/C12H20O2/c1-8(2)12(13)14-11-6-5-9(3)7-10(11)4/h9-11H,1,5-7H2,2-4H3
InChIKeyAABXLXJECDRJDR-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
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 (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate (CID 66694520) is (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(C)CC1C.
What is the InChIKey of (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is AABXLXJECDRJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)12(13)14-11-6-5-9(3)7-10(11)4/h9-11H,1,5-7H2,2-4H3.
What are the key properties of (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate?
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 66694520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).