4-ethylhexa-2,3-diene

C8H14 — CID 57110962

IUPAC4-ethylhexa-2,3-diene
SMILESCC=C=C(CC)CC
InChIInChI=1S/C8H14/c1-4-7-8(5-2)6-3/h4H,5-6H2,1-3H3
InChIKeyCXCCFYQFNUDXQH-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.91
Rot. Bonds2

About 4-ethylhexa-2,3-diene

4-ethylhexa-2,3-diene (PubChem CID 57110962) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 4-ethylhexa-2,3-diene.

Molecular Properties

Compound Name4-ethylhexa-2,3-diene
PubChem CID57110962
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name4-ethylhexa-2,3-diene
SMILESCC=C=C(CC)CC
InChIInChI=1S/C8H14/c1-4-7-8(5-2)6-3/h4H,5-6H2,1-3H3
InChIKeyCXCCFYQFNUDXQH-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyldeca-2,3-diene
CID 71328652
4-propylhepta-2,3-diene
CID 134994886
4-ethylhexa-2,3-dien-1-imine
CID 20549625
hexa-3,4-dien-3-yl-dimethyl-propan-2-ylsilane
CID 123765176
tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane
CID 123537321
4-ethyl-5-methylnona-2,3,5,7-tetraene
CID 173264693
4-ethyl-2-methylhexa-2,3-diene
CID 14399059
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
5-ethyl-4,6-dimethylhepta-2,3-diene
CID 123831861
[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 154719570
4,5-bis(prop-1-enyl)octa-2,3,5,6-tetraene
CID 123782366

Frequently Asked Questions

What is the IUPAC name of 4-ethylhexa-2,3-diene?
The IUPAC name of 4-ethylhexa-2,3-diene (CID 57110962) is 4-ethylhexa-2,3-diene.
What is the SMILES notation for 4-ethylhexa-2,3-diene?
The canonical SMILES for 4-ethylhexa-2,3-diene is CC=C=C(CC)CC.
What is the InChIKey of 4-ethylhexa-2,3-diene?
The InChIKey is CXCCFYQFNUDXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-7-8(5-2)6-3/h4H,5-6H2,1-3H3.
What are the key properties of 4-ethylhexa-2,3-diene?
4-ethylhexa-2,3-diene has a molecular weight of 110.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhexa-2,3-diene is sourced from PubChem (CID 57110962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).