3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane

C60H126 — CID 161458524

IUPAC3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
SMILESCCCC(C)CC(C)CCCCCCCCCCCC(C)CC.CCCCCCCCCCC(C)CCCCCC(C)CC.CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H48.C21H44.C16H34/c1-6-17-22(4)20-23(5)19-16-14-12-10-8-9-11-13-15-18-21(3)7-2;1-5-7-8-9-10-11-12-14-18-21(4)19-16-13-15-17-20(3)6-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h21-23H,6-20H2,1-5H3;20-21H,5-19H2,1-4H3;3-16H2,1-2H3
InChIKeyWBMGVCVCSXWZBQ-UHFFFAOYSA-N
MW847.67 g/mol
LogP23.42
Rot. Bonds46

About 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane

3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane (PubChem CID 161458524) has the molecular formula C60H126 and a molecular weight of 847.67 g/mol. Its IUPAC name is 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane.

Molecular Properties

Compound Name3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
PubChem CID161458524
Molecular FormulaC60H126
Molecular Weight847.67 g/mol
Exact Mass846.99
IUPAC Name3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
SMILESCCCC(C)CC(C)CCCCCCCCCCCC(C)CC.CCCCCCCCCCC(C)CCCCCC(C)CC.CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H48.C21H44.C16H34/c1-6-17-22(4)20-23(5)19-16-14-12-10-8-9-11-13-15-18-21(3)7-2;1-5-7-8-9-10-11-12-14-18-21(4)19-16-13-15-17-20(3)6-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h21-23H,6-20H2,1-5H3;20-21H,5-19H2,1-4H3;3-16H2,1-2H3
InChIKeyWBMGVCVCSXWZBQ-UHFFFAOYSA-N
XLogP23.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds46
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.67
LogP ≤ 523.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9,11-trimethyltetradecane
CID 158626683
(4R,6S)-4,6-dimethyldodecane
CID 162976966
3,5-dimethylpentacosane
CID 86177199
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
3,14-dimethylhexacosane
CID 91515224
4,11,14,16-tetramethylicosane
CID 123438722
5,15,17-trimethylpentatriacontane
CID 172565406
3,7,15-trimethylnonacosane
CID 6430417

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane?
The IUPAC name of 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane (CID 161458524) is 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane.
What is the SMILES notation for 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane?
The canonical SMILES for 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane is CCCC(C)CC(C)CCCCCCCCCCCC(C)CC.CCCCCCCCCCC(C)CCCCCC(C)CC.CCCCCCCCCCCCCCCC.
What is the InChIKey of 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane?
The InChIKey is WBMGVCVCSXWZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48.C21H44.C16H34/c1-6-17-22(4)20-23(5)19-16-14-12-10-8-9-11-13-15-18-21(3)7-2;1-5-7-8-9-10-11-12-14-18-21(4)19-16-13-15-17-20(3)6-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h21-23H,6-20H2,1-5H3;20-21H,5-19H2,1-4H3;3-16H2,1-2H3.
What are the key properties of 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane?
3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane has a molecular weight of 847.67 g/mol, XLogP of 23.42, 46 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane is sourced from PubChem (CID 161458524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).