ethyl 2-(1-butylcyclohexyl)acetate

C14H26O2 — CID 12933613

IUPACethyl 2-(1-butylcyclohexyl)acetate
SMILESCCCCC1(CC(=O)OCC)CCCCC1
InChIInChI=1S/C14H26O2/c1-3-5-9-14(10-7-6-8-11-14)12-13(15)16-4-2/h3-12H2,1-2H3
InChIKeyGDQJAYRLFWKPFC-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds6

About ethyl 2-(1-butylcyclohexyl)acetate

ethyl 2-(1-butylcyclohexyl)acetate (PubChem CID 12933613) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethyl 2-(1-butylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-butylcyclohexyl)acetate
PubChem CID12933613
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethyl 2-(1-butylcyclohexyl)acetate
SMILESCCCCC1(CC(=O)OCC)CCCCC1
InChIInChI=1S/C14H26O2/c1-3-5-9-14(10-7-6-8-11-14)12-13(15)16-4-2/h3-12H2,1-2H3
InChIKeyGDQJAYRLFWKPFC-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
Hexyldecyl Laurate
CID 118154
Ethyl 2-cyclohexylpropionate
CID 160641
2-Propylheptyl octanoate
CID 11855339
2-Ethylhexyl isohexadecanoate
CID 53749398
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
CID 11735763
Methyl 3-methylcyclohexanecarboxylate
CID 21259590
2H-Pyran-2-one, tetrahydro-5-pentyl-
CID 59609863
12-Methyl-13-tridecanolide
CID 534607
Ethyl 1-adamantanecarboxylate
CID 123141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-butylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(1-butylcyclohexyl)acetate (CID 12933613) is ethyl 2-(1-butylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(1-butylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(1-butylcyclohexyl)acetate is CCCCC1(CC(=O)OCC)CCCCC1.
What is the InChIKey of ethyl 2-(1-butylcyclohexyl)acetate?
The InChIKey is GDQJAYRLFWKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-9-14(10-7-6-8-11-14)12-13(15)16-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 2-(1-butylcyclohexyl)acetate?
ethyl 2-(1-butylcyclohexyl)acetate has a molecular weight of 226.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-butylcyclohexyl)acetate is sourced from PubChem (CID 12933613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).