4-butyl-1-ethoxycycloheptene

C13H24O — CID 23329924

IUPAC4-butyl-1-ethoxycycloheptene
SMILESCCCCC1CC=C(OCC)CCC1
InChIInChI=1S/C13H24O/c1-3-5-7-12-8-6-9-13(11-10-12)14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyOQEIUNWKJIGDGN-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.29
Rot. Bonds5

About 4-butyl-1-ethoxycycloheptene

4-butyl-1-ethoxycycloheptene (PubChem CID 23329924) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-butyl-1-ethoxycycloheptene.

Molecular Properties

Compound Name4-butyl-1-ethoxycycloheptene
PubChem CID23329924
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-butyl-1-ethoxycycloheptene
SMILESCCCCC1CC=C(OCC)CCC1
InChIInChI=1S/C13H24O/c1-3-5-7-12-8-6-9-13(11-10-12)14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyOQEIUNWKJIGDGN-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-1-ethoxycycloheptene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
(1E)-1-ethoxy-cyclododecene
CID 13540263
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239
14-Methyl-16-oxabicyclo[10.3.1]hexadec-12-ene
CID 18961697
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
(E)-7-ethoxy-5-ethyltetradec-6-ene
CID 12009433
(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
CID 25191177
(4aS,8S)-6-methoxy-8-methyl-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulene
CID 134837860
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
CID 134943279
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
(5R)-5-methyl-1-(2,2,2-trifluoroethoxy)cycloheptene
CID 101749975
(14R)-14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
CID 11424893

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-ethoxycycloheptene?
The IUPAC name of 4-butyl-1-ethoxycycloheptene (CID 23329924) is 4-butyl-1-ethoxycycloheptene.
What is the SMILES notation for 4-butyl-1-ethoxycycloheptene?
The canonical SMILES for 4-butyl-1-ethoxycycloheptene is CCCCC1CC=C(OCC)CCC1.
What is the InChIKey of 4-butyl-1-ethoxycycloheptene?
The InChIKey is OQEIUNWKJIGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-7-12-8-6-9-13(11-10-12)14-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-butyl-1-ethoxycycloheptene?
4-butyl-1-ethoxycycloheptene has a molecular weight of 196.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-ethoxycycloheptene is sourced from PubChem (CID 23329924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).