(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene

C18H36 — CID 173035981

IUPAC(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
SMILESC/C=C/CCC.C/C=C\CCC.CC/C=C/CC
InChIInChI=1S/3C6H12/c3*1-3-5-6-4-2/h5-6H,3-4H2,1-2H3;2*3,5H,4,6H2,1-2H3/b6-5+;5-3+;5-3-
InChIKeyJOWSRUKEDBITCJ-SLMTWFPTSA-N
MW252.49 g/mol
LogP7.09
Rot. Bonds6

About (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene

(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene (PubChem CID 173035981) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene.

Molecular Properties

Compound Name(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
PubChem CID173035981
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
SMILESC/C=C/CCC.C/C=C\CCC.CC/C=C/CC
InChIInChI=1S/3C6H12/c3*1-3-5-6-4-2/h5-6H,3-4H2,1-2H3;2*3,5H,4,6H2,1-2H3/b6-5+;5-3+;5-3-
InChIKeyJOWSRUKEDBITCJ-SLMTWFPTSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.09
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

ethane;(E)-hex-2-ene
CID 142405633
(6Z)-deca-2,6-diene
CID 159397578
butane;ethane;(E)-hex-2-ene
CID 143010099
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
hexane;(Z)-hex-2-ene
CID 159343029
(2Z,7Z)-deca-2,7-diene
CID 6429619
ethene;(Z)-hept-3-ene
CID 142517945
bis(pent-1-ene);pent-2-ene
CID 158608078
hex-2-ene;3-methylpentane
CID 161117572
acetic acid;(E)-hex-2-ene
CID 174958018
acetaldehyde;hexane;bis((E)-hex-2-ene);pentane
CID 160632813
carbamic acid;(E)-hex-2-ene
CID 174912639

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene?
The IUPAC name of (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene (CID 173035981) is (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene.
What is the SMILES notation for (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene?
The canonical SMILES for (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene is C/C=C/CCC.C/C=C\CCC.CC/C=C/CC.
What is the InChIKey of (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene?
The InChIKey is JOWSRUKEDBITCJ-SLMTWFPTSA-N. The full InChI is InChI=1S/3C6H12/c3*1-3-5-6-4-2/h5-6H,3-4H2,1-2H3;2*3,5H,4,6H2,1-2H3/b6-5+;5-3+;5-3-.
What are the key properties of (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene?
(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene has a molecular weight of 252.49 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene is sourced from PubChem (CID 173035981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).