1-(1-methylcyclohexyl)ethyl acetate

C11H20O2 — CID 140967924

IUPAC1-(1-methylcyclohexyl)ethyl acetate
SMILESCC(=O)OC(C)C1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-9(13-10(2)12)11(3)7-5-4-6-8-11/h9H,4-8H2,1-3H3
InChIKeyDTHYPQYASKVVBV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds2

About 1-(1-methylcyclohexyl)ethyl acetate

1-(1-methylcyclohexyl)ethyl acetate (PubChem CID 140967924) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)ethyl acetate.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)ethyl acetate
PubChem CID140967924
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-methylcyclohexyl)ethyl acetate
SMILESCC(=O)OC(C)C1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-9(13-10(2)12)11(3)7-5-4-6-8-11/h9H,4-8H2,1-3H3
InChIKeyDTHYPQYASKVVBV-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate
CID 101298084
3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007
2-(1-methylcyclohexyl)propanedioic acid
CID 12673903
(1-hydroxycyclooctyl) acetate
CID 91039609
methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
1-(1-ethylcyclohexyl)butyl acetate
CID 170557239
[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate
CID 173159520
[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
(1-methylcyclohexyl) acetate;propane
CID 143035856
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)ethyl acetate?
The IUPAC name of 1-(1-methylcyclohexyl)ethyl acetate (CID 140967924) is 1-(1-methylcyclohexyl)ethyl acetate.
What is the SMILES notation for 1-(1-methylcyclohexyl)ethyl acetate?
The canonical SMILES for 1-(1-methylcyclohexyl)ethyl acetate is CC(=O)OC(C)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)ethyl acetate?
The InChIKey is DTHYPQYASKVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(13-10(2)12)11(3)7-5-4-6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-(1-methylcyclohexyl)ethyl acetate?
1-(1-methylcyclohexyl)ethyl acetate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)ethyl acetate is sourced from PubChem (CID 140967924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).