11-butyl-8,10,12-trimethyl-9-pentyltricosane

C35H72 — CID 123560008

IUPAC11-butyl-8,10,12-trimethyl-9-pentyltricosane
SMILESCCCCCCCCCCCC(C)C(CCCC)C(C)C(CCCCC)C(C)CCCCCCC
InChIInChI=1S/C35H72/c1-8-12-16-18-19-20-21-23-26-28-31(5)34(29-15-11-4)33(7)35(30-24-14-10-3)32(6)27-25-22-17-13-9-2/h31-35H,8-30H2,1-7H3
InChIKeyNFBPGWWNVRTMLD-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.18
Rot. Bonds27

About 11-butyl-8,10,12-trimethyl-9-pentyltricosane

11-butyl-8,10,12-trimethyl-9-pentyltricosane (PubChem CID 123560008) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 11-butyl-8,10,12-trimethyl-9-pentyltricosane.

Molecular Properties

Compound Name11-butyl-8,10,12-trimethyl-9-pentyltricosane
PubChem CID123560008
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name11-butyl-8,10,12-trimethyl-9-pentyltricosane
SMILESCCCCCCCCCCCC(C)C(CCCC)C(C)C(CCCCC)C(C)CCCCCCC
InChIInChI=1S/C35H72/c1-8-12-16-18-19-20-21-23-26-28-31(5)34(29-15-11-4)33(7)35(30-24-14-10-3)32(6)27-25-22-17-13-9-2/h31-35H,8-30H2,1-7H3
InChIKeyNFBPGWWNVRTMLD-UHFFFAOYSA-N
XLogP13.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.18
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

2,3-dimethylnonacosane
CID 71331945
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
5,6,14,15-tetramethylnonadecane
CID 123473711
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
5-methyl-4-propan-2-yltetradecane
CID 123996280
9-butyl-10-methyloctadecane
CID 174796911

Frequently Asked Questions

What is the IUPAC name of 11-butyl-8,10,12-trimethyl-9-pentyltricosane?
The IUPAC name of 11-butyl-8,10,12-trimethyl-9-pentyltricosane (CID 123560008) is 11-butyl-8,10,12-trimethyl-9-pentyltricosane.
What is the SMILES notation for 11-butyl-8,10,12-trimethyl-9-pentyltricosane?
The canonical SMILES for 11-butyl-8,10,12-trimethyl-9-pentyltricosane is CCCCCCCCCCCC(C)C(CCCC)C(C)C(CCCCC)C(C)CCCCCCC.
What is the InChIKey of 11-butyl-8,10,12-trimethyl-9-pentyltricosane?
The InChIKey is NFBPGWWNVRTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-8-12-16-18-19-20-21-23-26-28-31(5)34(29-15-11-4)33(7)35(30-24-14-10-3)32(6)27-25-22-17-13-9-2/h31-35H,8-30H2,1-7H3.
What are the key properties of 11-butyl-8,10,12-trimethyl-9-pentyltricosane?
11-butyl-8,10,12-trimethyl-9-pentyltricosane has a molecular weight of 492.96 g/mol, XLogP of 13.18, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-8,10,12-trimethyl-9-pentyltricosane is sourced from PubChem (CID 123560008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).