2-ethyl-5-propylcyclohexa-1,3-diene;ethynol

C13H20O — CID 145190704

IUPAC2-ethyl-5-propylcyclohexa-1,3-diene;ethynol
SMILESC#CO.CCCC1C=CC(CC)=CC1
InChIInChI=1S/C11H18.C2H2O/c1-3-5-11-8-6-10(4-2)7-9-11;1-2-3/h6-8,11H,3-5,9H2,1-2H3;1,3H
InChIKeyZMAPVPQJTORNJO-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.65
Rot. Bonds3

About 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol

2-ethyl-5-propylcyclohexa-1,3-diene;ethynol (PubChem CID 145190704) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol.

Molecular Properties

Compound Name2-ethyl-5-propylcyclohexa-1,3-diene;ethynol
PubChem CID145190704
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-ethyl-5-propylcyclohexa-1,3-diene;ethynol
SMILESC#CO.CCCC1C=CC(CC)=CC1
InChIInChI=1S/C11H18.C2H2O/c1-3-5-11-8-6-10(4-2)7-9-11;1-2-3/h6-8,11H,3-5,9H2,1-2H3;1,3H
InChIKeyZMAPVPQJTORNJO-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol 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

4-ethylcyclohexa-2,4-diene-1-thiol
CID 130239972
2-nitro-5-propylcyclohexa-1,3-diene
CID 89219086
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
5-fluoro-2-propylcyclohexa-1,3-diene
CID 123958861
4-heptylcyclohexa-1,5-diene-1-carbonitrile
CID 90815913
(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 163691042
5-propylcyclohexa-1,3-diene
CID 13212987
5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene
CID 91527415
6-propylcyclohepta-1,4-diene
CID 142104440
(4-pentylcyclohexa-2,4-dien-1-yl)boronic acid
CID 134064083
2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine
CID 145044663
2-[[(5S)-decan-5-yl]oxymethyl]-5-fluorocyclohexa-1,3-diene
CID 122432431

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol?
The IUPAC name of 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol (CID 145190704) is 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol.
What is the SMILES notation for 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol?
The canonical SMILES for 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol is C#CO.CCCC1C=CC(CC)=CC1.
What is the InChIKey of 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol?
The InChIKey is ZMAPVPQJTORNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C2H2O/c1-3-5-11-8-6-10(4-2)7-9-11;1-2-3/h6-8,11H,3-5,9H2,1-2H3;1,3H.
What are the key properties of 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol?
2-ethyl-5-propylcyclohexa-1,3-diene;ethynol has a molecular weight of 192.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propylcyclohexa-1,3-diene;ethynol is sourced from PubChem (CID 145190704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).