(3-ethyl-2-methylcyclohexyl) acetate

C11H20O2 — CID 146440367

IUPAC(3-ethyl-2-methylcyclohexyl) acetate
SMILESCCC1CCCC(OC(C)=O)C1C
InChIInChI=1S/C11H20O2/c1-4-10-6-5-7-11(8(10)2)13-9(3)12/h8,10-11H,4-7H2,1-3H3
InChIKeyPUYUKFVYVVQKEJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.76
Rot. Bonds2

About (3-ethyl-2-methylcyclohexyl) acetate

(3-ethyl-2-methylcyclohexyl) acetate (PubChem CID 146440367) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3-ethyl-2-methylcyclohexyl) acetate.

Molecular Properties

Compound Name(3-ethyl-2-methylcyclohexyl) acetate
PubChem CID146440367
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3-ethyl-2-methylcyclohexyl) acetate
SMILESCCC1CCCC(OC(C)=O)C1C
InChIInChI=1S/C11H20O2/c1-4-10-6-5-7-11(8(10)2)13-9(3)12/h8,10-11H,4-7H2,1-3H3
InChIKeyPUYUKFVYVVQKEJ-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(2-ethyl-4-methylcyclopentyl) acetate
CID 153203207
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
CID 158589886
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713
[(1R,2S)-2-(3-hydroxypropyl)cyclohexyl] acetate
CID 15183497
trans-ethyl (1R,2R)-2-acetyloxycyclohexane-1-carboxylate
CID 101255181
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
[(1S,2S,3S)-3-amino-2-(methoxymethoxy)cyclohexyl] acetate
CID 121347756

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylcyclohexyl) acetate?
The IUPAC name of (3-ethyl-2-methylcyclohexyl) acetate (CID 146440367) is (3-ethyl-2-methylcyclohexyl) acetate.
What is the SMILES notation for (3-ethyl-2-methylcyclohexyl) acetate?
The canonical SMILES for (3-ethyl-2-methylcyclohexyl) acetate is CCC1CCCC(OC(C)=O)C1C.
What is the InChIKey of (3-ethyl-2-methylcyclohexyl) acetate?
The InChIKey is PUYUKFVYVVQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10-6-5-7-11(8(10)2)13-9(3)12/h8,10-11H,4-7H2,1-3H3.
What are the key properties of (3-ethyl-2-methylcyclohexyl) acetate?
(3-ethyl-2-methylcyclohexyl) acetate has a molecular weight of 184.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylcyclohexyl) acetate is sourced from PubChem (CID 146440367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).