6-tert-butyl-7-(3-methylpentyl)tridecane

C23H48 — CID 173260029

IUPAC6-tert-butyl-7-(3-methylpentyl)tridecane
SMILESCCCCCCC(CCC(C)CC)C(CCCCC)C(C)(C)C
InChIInChI=1S/C23H48/c1-8-11-13-15-16-21(19-18-20(4)10-3)22(23(5,6)7)17-14-12-9-2/h20-22H,8-19H2,1-7H3
InChIKeyONTJUINFYIJHOA-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.64
Rot. Bonds14

About 6-tert-butyl-7-(3-methylpentyl)tridecane

6-tert-butyl-7-(3-methylpentyl)tridecane (PubChem CID 173260029) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 6-tert-butyl-7-(3-methylpentyl)tridecane.

Molecular Properties

Compound Name6-tert-butyl-7-(3-methylpentyl)tridecane
PubChem CID173260029
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name6-tert-butyl-7-(3-methylpentyl)tridecane
SMILESCCCCCCC(CCC(C)CC)C(CCCCC)C(C)(C)C
InChIInChI=1S/C23H48/c1-8-11-13-15-16-21(19-18-20(4)10-3)22(23(5,6)7)17-14-12-9-2/h20-22H,8-19H2,1-7H3
InChIKeyONTJUINFYIJHOA-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.64
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-methyl-6-propan-2-ylundecane
CID 123788850
2,3-dimethylbutane;3-methylundecane
CID 173307544
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-(3-methylpentyl)tridecane?
The IUPAC name of 6-tert-butyl-7-(3-methylpentyl)tridecane (CID 173260029) is 6-tert-butyl-7-(3-methylpentyl)tridecane.
What is the SMILES notation for 6-tert-butyl-7-(3-methylpentyl)tridecane?
The canonical SMILES for 6-tert-butyl-7-(3-methylpentyl)tridecane is CCCCCCC(CCC(C)CC)C(CCCCC)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-7-(3-methylpentyl)tridecane?
The InChIKey is ONTJUINFYIJHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-8-11-13-15-16-21(19-18-20(4)10-3)22(23(5,6)7)17-14-12-9-2/h20-22H,8-19H2,1-7H3.
What are the key properties of 6-tert-butyl-7-(3-methylpentyl)tridecane?
6-tert-butyl-7-(3-methylpentyl)tridecane has a molecular weight of 324.64 g/mol, XLogP of 8.64, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-(3-methylpentyl)tridecane is sourced from PubChem (CID 173260029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).