triacont-12-ene

C30H60 — CID 54535715

IUPACtriacont-12-ene
SMILESCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h23,25H,3-22,24,26-30H2,1-2H3
InChIKeyUXBBYDBWOJZQJD-UHFFFAOYSA-N
MW420.81 g/mol
LogP11.73
Rot. Bonds26

About triacont-12-ene

triacont-12-ene (PubChem CID 54535715) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is triacont-12-ene.

Molecular Properties

Compound Nametriacont-12-ene
PubChem CID54535715
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Nametriacont-12-ene
SMILESCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h23,25H,3-22,24,26-30H2,1-2H3
InChIKeyUXBBYDBWOJZQJD-UHFFFAOYSA-N
XLogP11.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 511.73
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
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(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 triacont-12-ene?
The IUPAC name of triacont-12-ene (CID 54535715) is triacont-12-ene.
What is the SMILES notation for triacont-12-ene?
The canonical SMILES for triacont-12-ene is CCCCCCCCCCCC=CCCCCCCCCCCCCCCCCC.
What is the InChIKey of triacont-12-ene?
The InChIKey is UXBBYDBWOJZQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h23,25H,3-22,24,26-30H2,1-2H3.
What are the key properties of triacont-12-ene?
triacont-12-ene has a molecular weight of 420.81 g/mol, XLogP of 11.73, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triacont-12-ene is sourced from PubChem (CID 54535715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).