15-butyl-3,6-dimethylhexacosane

C32H66 — CID 153276660

IUPAC15-butyl-3,6-dimethylhexacosane
SMILESCCCCCCCCCCCC(CCCC)CCCCCCCCC(C)CCC(C)CC
InChIInChI=1S/C32H66/c1-6-9-11-12-13-14-15-19-22-26-32(25-10-7-2)27-23-20-17-16-18-21-24-31(5)29-28-30(4)8-3/h30-32H,6-29H2,1-5H3
InChIKeyCLZCWAJDBJTISK-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.30
Rot. Bonds26

About 15-butyl-3,6-dimethylhexacosane

15-butyl-3,6-dimethylhexacosane (PubChem CID 153276660) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 15-butyl-3,6-dimethylhexacosane.

Molecular Properties

Compound Name15-butyl-3,6-dimethylhexacosane
PubChem CID153276660
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name15-butyl-3,6-dimethylhexacosane
SMILESCCCCCCCCCCCC(CCCC)CCCCCCCCC(C)CCC(C)CC
InChIInChI=1S/C32H66/c1-6-9-11-12-13-14-15-19-22-26-32(25-10-7-2)27-23-20-17-16-18-21-24-31(5)29-28-30(4)8-3/h30-32H,6-29H2,1-5H3
InChIKeyCLZCWAJDBJTISK-UHFFFAOYSA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
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CID 173071241
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,11-dimethylpentadecane
CID 58340720
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
3,13,19-trimethylheptatriacontane
CID 172565400
13-methyl-24-tetradecyltritetracontane
CID 173071329
3,14-dimethylhexacosane
CID 91515224
5-ethyl-8-methyltetradecane
CID 158454229
9-ethyl-3-methyltridecane
CID 54105230

Frequently Asked Questions

What is the IUPAC name of 15-butyl-3,6-dimethylhexacosane?
The IUPAC name of 15-butyl-3,6-dimethylhexacosane (CID 153276660) is 15-butyl-3,6-dimethylhexacosane.
What is the SMILES notation for 15-butyl-3,6-dimethylhexacosane?
The canonical SMILES for 15-butyl-3,6-dimethylhexacosane is CCCCCCCCCCCC(CCCC)CCCCCCCCC(C)CCC(C)CC.
What is the InChIKey of 15-butyl-3,6-dimethylhexacosane?
The InChIKey is CLZCWAJDBJTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-6-9-11-12-13-14-15-19-22-26-32(25-10-7-2)27-23-20-17-16-18-21-24-31(5)29-28-30(4)8-3/h30-32H,6-29H2,1-5H3.
What are the key properties of 15-butyl-3,6-dimethylhexacosane?
15-butyl-3,6-dimethylhexacosane has a molecular weight of 450.88 g/mol, XLogP of 12.30, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-butyl-3,6-dimethylhexacosane is sourced from PubChem (CID 153276660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).