5-butyl-5-methylpentadecane

C20H42 — CID 174700907

IUPAC5-butyl-5-methylpentadecane
SMILESCCCCCCCCCCC(C)(CCCC)CCCC
InChIInChI=1S/C20H42/c1-5-8-11-12-13-14-15-16-19-20(4,17-9-6-2)18-10-7-3/h5-19H2,1-4H3
InChIKeyYEQHBLHUEDMMDH-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.90
Rot. Bonds15

About 5-butyl-5-methylpentadecane

5-butyl-5-methylpentadecane (PubChem CID 174700907) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 5-butyl-5-methylpentadecane.

Molecular Properties

Compound Name5-butyl-5-methylpentadecane
PubChem CID174700907
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name5-butyl-5-methylpentadecane
SMILESCCCCCCCCCCC(C)(CCCC)CCCC
InChIInChI=1S/C20H42/c1-5-8-11-12-13-14-15-16-19-20(4,17-9-6-2)18-10-7-3/h5-19H2,1-4H3
InChIKeyYEQHBLHUEDMMDH-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.90
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-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
4-methyl-4-propylnonane
CID 54241684
CID 174030929
CID 174030929
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
6-(3-fluoropropyl)-6-methyldodecane
CID 137470516

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-methylpentadecane?
The IUPAC name of 5-butyl-5-methylpentadecane (CID 174700907) is 5-butyl-5-methylpentadecane.
What is the SMILES notation for 5-butyl-5-methylpentadecane?
The canonical SMILES for 5-butyl-5-methylpentadecane is CCCCCCCCCCC(C)(CCCC)CCCC.
What is the InChIKey of 5-butyl-5-methylpentadecane?
The InChIKey is YEQHBLHUEDMMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-8-11-12-13-14-15-16-19-20(4,17-9-6-2)18-10-7-3/h5-19H2,1-4H3.
What are the key properties of 5-butyl-5-methylpentadecane?
5-butyl-5-methylpentadecane has a molecular weight of 282.56 g/mol, XLogP of 7.90, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-methylpentadecane is sourced from PubChem (CID 174700907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).