(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene

C13H24 — CID 159947786

IUPAC(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.C/C=C\CCCC
InChIInChI=1S/C7H14.C6H10/c1-3-5-7-6-4-2;1-3-5-6-4-2/h3,5H,4,6-7H2,1-2H3;3-6H,1-2H3/b5-3-;5-3-,6-4-
InChIKeyOBSCJDSBWQJZLN-GXXITDEESA-N
MW180.33 g/mol
LogP4.89
Rot. Bonds4

About (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene

(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene (PubChem CID 159947786) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene.

Molecular Properties

Compound Name(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
PubChem CID159947786
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.C/C=C\CCCC
InChIInChI=1S/C7H14.C6H10/c1-3-5-7-6-4-2;1-3-5-6-4-2/h3,5H,4,6-7H2,1-2H3;3-6H,1-2H3/b5-3-;5-3-,6-4-
InChIKeyOBSCJDSBWQJZLN-GXXITDEESA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trideca-2,4,6,8-tetraene
CID 54117998
(2E,7E)-dodeca-2,7-diene
CID 173295735
hept-2-ene;methanol
CID 135236025
pentadeca-2,10-diene
CID 174048350
(Z)-oct-2-ene
CID 5356796
oct-2-ene;hydrochloride
CID 86744102
(Z)-icos-2-ene
CID 5352524
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
formic acid;oct-2-ene
CID 159391664
hexane;(Z)-hex-2-ene
CID 159343029

Frequently Asked Questions

What is the IUPAC name of (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene?
The IUPAC name of (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene (CID 159947786) is (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene.
What is the SMILES notation for (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene?
The canonical SMILES for (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene is C/C=C\C=C/C.C/C=C\CCCC.
What is the InChIKey of (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene?
The InChIKey is OBSCJDSBWQJZLN-GXXITDEESA-N. The full InChI is InChI=1S/C7H14.C6H10/c1-3-5-7-6-4-2;1-3-5-6-4-2/h3,5H,4,6-7H2,1-2H3;3-6H,1-2H3/b5-3-;5-3-,6-4-.
What are the key properties of (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene?
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene has a molecular weight of 180.33 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene is sourced from PubChem (CID 159947786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).