(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene

C18H36 — CID 160824925

IUPAC(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene
SMILESC=CC(C)CC.CC/C=C/CC.CC/C=C\CC
InChIInChI=1S/3C6H12/c1-4-6(3)5-2;2*1-3-5-6-4-2/h4,6H,1,5H2,2-3H3;2*5-6H,3-4H2,1-2H3/b;6-5+;6-5-
InChIKeySGALRBDREKMCCD-NRJZMMARSA-N
MW252.49 g/mol
LogP6.94
Rot. Bonds6

About (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene

(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene (PubChem CID 160824925) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene.

Molecular Properties

Compound Name(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene
PubChem CID160824925
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene
SMILESC=CC(C)CC.CC/C=C/CC.CC/C=C\CC
InChIInChI=1S/3C6H12/c1-4-6(3)5-2;2*1-3-5-6-4-2/h4,6H,1,5H2,2-3H3;2*5-6H,3-4H2,1-2H3/b;6-5+;6-5-
InChIKeySGALRBDREKMCCD-NRJZMMARSA-N
XLogP6.94
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 ≤ 56.94
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

2,3-Dimethyl-1,4-hexadiene
CID 5368910
2-Methyl-3-heptene, (3E)-
CID 5357255
2-Hexene, 2,5-dimethyl-
CID 18853
(6Z,9Z,12Z,15Z,18Z)-1,6,9,12,15,18-Henicosahexaene
CID 11460308
5-Methyl-2-hexene
CID 5357252
4-Methyl-2-hexene
CID 5357249
4-Methyl-2-hexene, (Z)-
CID 5357251
3,5-Dimethyl-3-heptene
CID 5364776
5-Methyl-3-heptene (cis-and trans-mixture)
CID 5462826
3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
CID 52922084
Santolina triene
CID 519872
(3E)-2,5-Dimethyl-3-hexene
CID 638067

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene?
The IUPAC name of (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene (CID 160824925) is (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene.
What is the SMILES notation for (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene?
The canonical SMILES for (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene is C=CC(C)CC.CC/C=C/CC.CC/C=C\CC.
What is the InChIKey of (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene?
The InChIKey is SGALRBDREKMCCD-NRJZMMARSA-N. The full InChI is InChI=1S/3C6H12/c1-4-6(3)5-2;2*1-3-5-6-4-2/h4,6H,1,5H2,2-3H3;2*5-6H,3-4H2,1-2H3/b;6-5+;6-5-.
What are the key properties of (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene?
(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene has a molecular weight of 252.49 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene is sourced from PubChem (CID 160824925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).