2-(1-methylcyclohexyl)ethyl acetate

C11H20O2 — CID 70251628

IUPAC2-(1-methylcyclohexyl)ethyl acetate
SMILESCC(=O)OCCC1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(12)13-9-8-11(2)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKeyUEXLSPJFFOGZOW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds3

About 2-(1-methylcyclohexyl)ethyl acetate

2-(1-methylcyclohexyl)ethyl acetate (PubChem CID 70251628) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)ethyl acetate.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)ethyl acetate
PubChem CID70251628
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(1-methylcyclohexyl)ethyl acetate
SMILESCC(=O)OCCC1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(12)13-9-8-11(2)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKeyUEXLSPJFFOGZOW-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-(1-methylcyclopropyl)ethyl acetate
CID 126994402
cyclopropane;2-methoxyethyl acetate
CID 69413766
6-(1-methylcyclohexyl)hexanamide
CID 154219195
2-(1,6,6-trimethylcyclohex-2-en-1-yl)ethyl acetate
CID 123721103
2-methylprop-2-enyl 1-methylcyclohexane-1-carboxylate
CID 171620113
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]ethyl acetate
CID 118437130
3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate
CID 131972587
4-methyl-1-(1-methylcyclohexyl)pentan-3-one
CID 22217356
2-hydroxyethyl 1-methylcyclohexane-1-carboxylate
CID 165353506
3-(1-methylcyclopentyl)propanoyl iodide
CID 134485203
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)ethyl acetate?
The IUPAC name of 2-(1-methylcyclohexyl)ethyl acetate (CID 70251628) is 2-(1-methylcyclohexyl)ethyl acetate.
What is the SMILES notation for 2-(1-methylcyclohexyl)ethyl acetate?
The canonical SMILES for 2-(1-methylcyclohexyl)ethyl acetate is CC(=O)OCCC1(C)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)ethyl acetate?
The InChIKey is UEXLSPJFFOGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(12)13-9-8-11(2)6-4-3-5-7-11/h3-9H2,1-2H3.
What are the key properties of 2-(1-methylcyclohexyl)ethyl acetate?
2-(1-methylcyclohexyl)ethyl acetate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)ethyl acetate is sourced from PubChem (CID 70251628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).