9-butyl-10-methyloctadecane

C23H48 — CID 174796911

IUPAC9-butyl-10-methyloctadecane
SMILESCCCCCCCCC(C)C(CCCC)CCCCCCCC
InChIInChI=1S/C23H48/c1-5-8-11-13-15-17-19-22(4)23(20-10-7-3)21-18-16-14-12-9-6-2/h22-23H,5-21H2,1-4H3
InChIKeyCRYRSTPWQOOIDP-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.93
Rot. Bonds18

About 9-butyl-10-methyloctadecane

9-butyl-10-methyloctadecane (PubChem CID 174796911) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 9-butyl-10-methyloctadecane.

Molecular Properties

Compound Name9-butyl-10-methyloctadecane
PubChem CID174796911
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name9-butyl-10-methyloctadecane
SMILESCCCCCCCCC(C)C(CCCC)CCCCCCCC
InChIInChI=1S/C23H48/c1-5-8-11-13-15-17-19-22(4)23(20-10-7-3)21-18-16-14-12-9-6-2/h22-23H,5-21H2,1-4H3
InChIKeyCRYRSTPWQOOIDP-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.93
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

11-butyl-12-methyldocosane
CID 151619606
8-methyl-7-pentylhexadecane
CID 123739023
11-butyl-4,12-dimethylhexacosane
CID 153276658
8-ethyl-7-methylhexadecane
CID 56974440
6-[(2S)-1-fluoropropan-2-yl]tridecane
CID 154930317
5,6-diethyldodecane
CID 90761715
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dibutylhexadecane
CID 530025
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of 9-butyl-10-methyloctadecane?
The IUPAC name of 9-butyl-10-methyloctadecane (CID 174796911) is 9-butyl-10-methyloctadecane.
What is the SMILES notation for 9-butyl-10-methyloctadecane?
The canonical SMILES for 9-butyl-10-methyloctadecane is CCCCCCCCC(C)C(CCCC)CCCCCCCC.
What is the InChIKey of 9-butyl-10-methyloctadecane?
The InChIKey is CRYRSTPWQOOIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-5-8-11-13-15-17-19-22(4)23(20-10-7-3)21-18-16-14-12-9-6-2/h22-23H,5-21H2,1-4H3.
What are the key properties of 9-butyl-10-methyloctadecane?
9-butyl-10-methyloctadecane has a molecular weight of 324.64 g/mol, XLogP of 8.93, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-10-methyloctadecane is sourced from PubChem (CID 174796911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).