4,15,16,20,21,26-hexamethylheptacos-1-ene

C33H66 — CID 123638786

IUPAC4,15,16,20,21,26-hexamethylheptacos-1-ene
SMILESC=CCC(C)CCCCCCCCCCC(C)C(C)CCCC(C)C(C)CCCCC(C)C
InChIInChI=1S/C33H66/c1-9-21-29(4)23-16-14-12-10-11-13-15-17-24-30(5)32(7)26-20-27-33(8)31(6)25-19-18-22-28(2)3/h9,28-33H,1,10-27H2,2-8H3
InChIKeySKKLDZABRMCWRH-UHFFFAOYSA-N
MW462.89 g/mol
LogP12.03
Rot. Bonds24

About 4,15,16,20,21,26-hexamethylheptacos-1-ene

4,15,16,20,21,26-hexamethylheptacos-1-ene (PubChem CID 123638786) has the molecular formula C33H66 and a molecular weight of 462.89 g/mol. Its IUPAC name is 4,15,16,20,21,26-hexamethylheptacos-1-ene.

Molecular Properties

Compound Name4,15,16,20,21,26-hexamethylheptacos-1-ene
PubChem CID123638786
Molecular FormulaC33H66
Molecular Weight462.89 g/mol
Exact Mass462.52
IUPAC Name4,15,16,20,21,26-hexamethylheptacos-1-ene
SMILESC=CCC(C)CCCCCCCCCCC(C)C(C)CCCC(C)C(C)CCCCC(C)C
InChIInChI=1S/C33H66/c1-9-21-29(4)23-16-14-12-10-11-13-15-17-24-30(5)32(7)26-20-27-33(8)31(6)25-19-18-22-28(2)3/h9,28-33H,1,10-27H2,2-8H3
InChIKeySKKLDZABRMCWRH-UHFFFAOYSA-N
XLogP12.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.89
LogP ≤ 512.03
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

25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
(4R)-8-methylnon-1-en-4-ol
CID 11672703
4,6-dimethyldodec-1-ene
CID 170848376
dimethyl(4-methylhept-6-enyl)phosphane
CID 167217832
10-methyl-3-methylideneundec-1-ene
CID 144855567
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,9,10-trimethyltridecane
CID 123263779
3,7,11-trimethyldodecanal
CID 14420009
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592

Frequently Asked Questions

What is the IUPAC name of 4,15,16,20,21,26-hexamethylheptacos-1-ene?
The IUPAC name of 4,15,16,20,21,26-hexamethylheptacos-1-ene (CID 123638786) is 4,15,16,20,21,26-hexamethylheptacos-1-ene.
What is the SMILES notation for 4,15,16,20,21,26-hexamethylheptacos-1-ene?
The canonical SMILES for 4,15,16,20,21,26-hexamethylheptacos-1-ene is C=CCC(C)CCCCCCCCCCC(C)C(C)CCCC(C)C(C)CCCCC(C)C.
What is the InChIKey of 4,15,16,20,21,26-hexamethylheptacos-1-ene?
The InChIKey is SKKLDZABRMCWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66/c1-9-21-29(4)23-16-14-12-10-11-13-15-17-24-30(5)32(7)26-20-27-33(8)31(6)25-19-18-22-28(2)3/h9,28-33H,1,10-27H2,2-8H3.
What are the key properties of 4,15,16,20,21,26-hexamethylheptacos-1-ene?
4,15,16,20,21,26-hexamethylheptacos-1-ene has a molecular weight of 462.89 g/mol, XLogP of 12.03, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15,16,20,21,26-hexamethylheptacos-1-ene is sourced from PubChem (CID 123638786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).