heptatriacont-13-ene

C37H74 — CID 71378710

IUPACheptatriacont-13-ene
SMILESCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25,27H,3-24,26,28-37H2,1-2H3
InChIKeyZIWNFSUMWIISLR-UHFFFAOYSA-N
MW519.00 g/mol
LogP14.46
Rot. Bonds33

About heptatriacont-13-ene

heptatriacont-13-ene (PubChem CID 71378710) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is heptatriacont-13-ene.

Molecular Properties

Compound Nameheptatriacont-13-ene
PubChem CID71378710
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Nameheptatriacont-13-ene
SMILESCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25,27H,3-24,26,28-37H2,1-2H3
InChIKeyZIWNFSUMWIISLR-UHFFFAOYSA-N
XLogP14.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 514.46
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'}

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of heptatriacont-13-ene?
The IUPAC name of heptatriacont-13-ene (CID 71378710) is heptatriacont-13-ene.
What is the SMILES notation for heptatriacont-13-ene?
The canonical SMILES for heptatriacont-13-ene is CCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of heptatriacont-13-ene?
The InChIKey is ZIWNFSUMWIISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25,27H,3-24,26,28-37H2,1-2H3.
What are the key properties of heptatriacont-13-ene?
heptatriacont-13-ene has a molecular weight of 519.00 g/mol, XLogP of 14.46, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptatriacont-13-ene is sourced from PubChem (CID 71378710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).