3,7,15-trimethylnonacosane

C32H66 — CID 6430417

IUPAC3,7,15-trimethylnonacosane
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CC
InChIInChI=1S/C32H66/c1-6-8-9-10-11-12-13-14-15-16-18-21-25-31(4)26-22-19-17-20-23-27-32(5)29-24-28-30(3)7-2/h30-32H,6-29H2,1-5H3
InChIKeyRJURMRMDZRHDHO-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.30
Rot. Bonds26

About 3,7,15-trimethylnonacosane

3,7,15-trimethylnonacosane (PubChem CID 6430417) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 3,7,15-trimethylnonacosane.

Molecular Properties

Compound Name3,7,15-trimethylnonacosane
PubChem CID6430417
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name3,7,15-trimethylnonacosane
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CC
InChIInChI=1S/C32H66/c1-6-8-9-10-11-12-13-14-15-16-18-21-25-31(4)26-22-19-17-20-23-27-32(5)29-24-28-30(3)7-2/h30-32H,6-29H2,1-5H3
InChIKeyRJURMRMDZRHDHO-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

3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
3,13,19-trimethylheptatriacontane
CID 172565400
3,14-dimethylhexacosane
CID 91515224
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of 3,7,15-trimethylnonacosane?
The IUPAC name of 3,7,15-trimethylnonacosane (CID 6430417) is 3,7,15-trimethylnonacosane.
What is the SMILES notation for 3,7,15-trimethylnonacosane?
The canonical SMILES for 3,7,15-trimethylnonacosane is CCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CC.
What is the InChIKey of 3,7,15-trimethylnonacosane?
The InChIKey is RJURMRMDZRHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-6-8-9-10-11-12-13-14-15-16-18-21-25-31(4)26-22-19-17-20-23-27-32(5)29-24-28-30(3)7-2/h30-32H,6-29H2,1-5H3.
What are the key properties of 3,7,15-trimethylnonacosane?
3,7,15-trimethylnonacosane 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 3,7,15-trimethylnonacosane is sourced from PubChem (CID 6430417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).