(3Z)-hepta-1,3-diene

C7H12 — CID 6427773

IUPAC(3Z)-hepta-1,3-diene
SMILESC=C/C=C\CCC
InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5-
InChIKeyOGQVROWWFUXRST-ALCCZGGFSA-N
MW96.17 g/mol
LogP2.53
Rot. Bonds3

About (3Z)-hepta-1,3-diene

(3Z)-hepta-1,3-diene (PubChem CID 6427773) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (3Z)-hepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-hepta-1,3-diene
PubChem CID6427773
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(3Z)-hepta-1,3-diene
SMILESC=C/C=C\CCC
InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5-
InChIKeyOGQVROWWFUXRST-ALCCZGGFSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
(3Z)-heptadeca-1,3,9-triene
CID 175589298
hexadeca-1,3,8-triene
CID 174048674
2-amino-N-methylacetamide;(3E)-hepta-1,3-diene
CID 166554163
1,4-dioxane;hepta-1,3-diene;thiophene
CID 174695057
undeca-1,3-diene;undec-1-ene
CID 159743461
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(7E)-deca-7,9-dien-4-ol
CID 46176590
dioxotitanium;tetradeca-1,3-diene
CID 174751058
cobalt;hexa-1,3-diene
CID 174676950
pentadeca-1,3,12-triene
CID 174048351
heptadeca-1,3,14-triene
CID 54251685

Frequently Asked Questions

What is the IUPAC name of (3Z)-hepta-1,3-diene?
The IUPAC name of (3Z)-hepta-1,3-diene (CID 6427773) is (3Z)-hepta-1,3-diene.
What is the SMILES notation for (3Z)-hepta-1,3-diene?
The canonical SMILES for (3Z)-hepta-1,3-diene is C=C/C=C\CCC.
What is the InChIKey of (3Z)-hepta-1,3-diene?
The InChIKey is OGQVROWWFUXRST-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5-.
What are the key properties of (3Z)-hepta-1,3-diene?
(3Z)-hepta-1,3-diene has a molecular weight of 96.17 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hepta-1,3-diene is sourced from PubChem (CID 6427773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).