hexatriaconta-6,9,12,24,27,30-hexaene

C36H62 — CID 54437867

IUPAChexatriaconta-6,9,12,24,27,30-hexaene
SMILESCCCCCC=CCC=CCC=CCCCCCCCCCCC=CCC=CCC=CCCCCC
InChIInChI=1S/C36H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26H,3-10,15-16,21-22,27-36H2,1-2H3
InChIKeyRSSLWUJIBATUOS-UHFFFAOYSA-N
MW494.89 g/mol
LogP12.95
Rot. Bonds27

About hexatriaconta-6,9,12,24,27,30-hexaene

hexatriaconta-6,9,12,24,27,30-hexaene (PubChem CID 54437867) has the molecular formula C36H62 and a molecular weight of 494.89 g/mol. Its IUPAC name is hexatriaconta-6,9,12,24,27,30-hexaene.

Molecular Properties

Compound Namehexatriaconta-6,9,12,24,27,30-hexaene
PubChem CID54437867
Molecular FormulaC36H62
Molecular Weight494.89 g/mol
Exact Mass494.49
IUPAC Namehexatriaconta-6,9,12,24,27,30-hexaene
SMILESCCCCCC=CCC=CCC=CCCCCCCCCCCC=CCC=CCC=CCCCCC
InChIInChI=1S/C36H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26H,3-10,15-16,21-22,27-36H2,1-2H3
InChIKeyRSSLWUJIBATUOS-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 512.95
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

(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
docosa-4,7,11-triene
CID 141035180
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
henicosa-3,6-diene
CID 72727393
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of hexatriaconta-6,9,12,24,27,30-hexaene?
The IUPAC name of hexatriaconta-6,9,12,24,27,30-hexaene (CID 54437867) is hexatriaconta-6,9,12,24,27,30-hexaene.
What is the SMILES notation for hexatriaconta-6,9,12,24,27,30-hexaene?
The canonical SMILES for hexatriaconta-6,9,12,24,27,30-hexaene is CCCCCC=CCC=CCC=CCCCCCCCCCCC=CCC=CCC=CCCCCC.
What is the InChIKey of hexatriaconta-6,9,12,24,27,30-hexaene?
The InChIKey is RSSLWUJIBATUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26H,3-10,15-16,21-22,27-36H2,1-2H3.
What are the key properties of hexatriaconta-6,9,12,24,27,30-hexaene?
hexatriaconta-6,9,12,24,27,30-hexaene has a molecular weight of 494.89 g/mol, XLogP of 12.95, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriaconta-6,9,12,24,27,30-hexaene is sourced from PubChem (CID 54437867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).