ethene;4-ethylhex-1-ene

C10H20 — CID 159399050

IUPACethene;4-ethylhex-1-ene
SMILESC=C.C=CCC(CC)CC
InChIInChI=1S/C8H16.C2H4/c1-4-7-8(5-2)6-3;1-2/h4,8H,1,5-7H2,2-3H3;1-2H2
InChIKeyLNCJSFLZDYVPNL-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.80
Rot. Bonds4

About ethene;4-ethylhex-1-ene

ethene;4-ethylhex-1-ene (PubChem CID 159399050) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is ethene;4-ethylhex-1-ene.

Molecular Properties

Compound Nameethene;4-ethylhex-1-ene
PubChem CID159399050
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameethene;4-ethylhex-1-ene
SMILESC=C.C=CCC(CC)CC
InChIInChI=1S/C8H16.C2H4/c1-4-7-8(5-2)6-3;1-2/h4,8H,1,5-7H2,2-3H3;1-2H2
InChIKeyLNCJSFLZDYVPNL-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
(4S)-4-ethyloct-1-ene
CID 129373406
4-ethylhept-6-en-2-one
CID 87771917
4,5-diethylhept-1-ene
CID 123746760
6-ethyldec-1-en-4-amine
CID 116660443
5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene
CID 59039339
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
2-propylpent-4-en-1-ol
CID 15525342
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630

Frequently Asked Questions

What is the IUPAC name of ethene;4-ethylhex-1-ene?
The IUPAC name of ethene;4-ethylhex-1-ene (CID 159399050) is ethene;4-ethylhex-1-ene.
What is the SMILES notation for ethene;4-ethylhex-1-ene?
The canonical SMILES for ethene;4-ethylhex-1-ene is C=C.C=CCC(CC)CC.
What is the InChIKey of ethene;4-ethylhex-1-ene?
The InChIKey is LNCJSFLZDYVPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C2H4/c1-4-7-8(5-2)6-3;1-2/h4,8H,1,5-7H2,2-3H3;1-2H2.
What are the key properties of ethene;4-ethylhex-1-ene?
ethene;4-ethylhex-1-ene has a molecular weight of 140.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-ethylhex-1-ene is sourced from PubChem (CID 159399050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).