1-(1-ethylcyclohexyl)butyl acetate

C14H26O2 — CID 170557239

IUPAC1-(1-ethylcyclohexyl)butyl acetate
SMILESCCCC(OC(C)=O)C1(CC)CCCCC1
InChIInChI=1S/C14H26O2/c1-4-9-13(16-12(3)15)14(5-2)10-7-6-8-11-14/h13H,4-11H2,1-3H3
InChIKeyHZXDQVOJPXXZGX-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds5

About 1-(1-ethylcyclohexyl)butyl acetate

1-(1-ethylcyclohexyl)butyl acetate (PubChem CID 170557239) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)butyl acetate.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)butyl acetate
PubChem CID170557239
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-ethylcyclohexyl)butyl acetate
SMILESCCCC(OC(C)=O)C1(CC)CCCCC1
InChIInChI=1S/C14H26O2/c1-4-9-13(16-12(3)15)14(5-2)10-7-6-8-11-14/h13H,4-11H2,1-3H3
InChIKeyHZXDQVOJPXXZGX-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)butyl acetate?
The IUPAC name of 1-(1-ethylcyclohexyl)butyl acetate (CID 170557239) is 1-(1-ethylcyclohexyl)butyl acetate.
What is the SMILES notation for 1-(1-ethylcyclohexyl)butyl acetate?
The canonical SMILES for 1-(1-ethylcyclohexyl)butyl acetate is CCCC(OC(C)=O)C1(CC)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)butyl acetate?
The InChIKey is HZXDQVOJPXXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-9-13(16-12(3)15)14(5-2)10-7-6-8-11-14/h13H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethylcyclohexyl)butyl acetate?
1-(1-ethylcyclohexyl)butyl acetate has a molecular weight of 226.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)butyl acetate is sourced from PubChem (CID 170557239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).