(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate

C13H24O2 — CID 70464202

IUPAC(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
SMILESCCC1CCCC(C)(C)C1COC(C)=O
InChIInChI=1S/C13H24O2/c1-5-11-7-6-8-13(3,4)12(11)9-15-10(2)14/h11-12H,5-9H2,1-4H3
InChIKeyYUYHJBZZHRZHBL-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds3

About (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate

(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate (PubChem CID 70464202) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate.

Molecular Properties

Compound Name(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
PubChem CID70464202
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
SMILESCCC1CCCC(C)(C)C1COC(C)=O
InChIInChI=1S/C13H24O2/c1-5-11-7-6-8-13(3,4)12(11)9-15-10(2)14/h11-12H,5-9H2,1-4H3
InChIKeyYUYHJBZZHRZHBL-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate?
The IUPAC name of (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate (CID 70464202) is (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate.
What is the SMILES notation for (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate?
The canonical SMILES for (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate is CCC1CCCC(C)(C)C1COC(C)=O.
What is the InChIKey of (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate?
The InChIKey is YUYHJBZZHRZHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-11-7-6-8-13(3,4)12(11)9-15-10(2)14/h11-12H,5-9H2,1-4H3.
What are the key properties of (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate?
(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate has a molecular weight of 212.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2,2-dimethylcyclohexyl)methyl acetate is sourced from PubChem (CID 70464202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).