9-methyl-5-propyltetradecane

C18H38 — CID 59977731

IUPAC9-methyl-5-propyltetradecane
SMILESCCCCCC(C)CCCC(CCC)CCCC
InChIInChI=1S/C18H38/c1-5-8-10-13-17(4)14-11-16-18(12-7-3)15-9-6-2/h17-18H,5-16H2,1-4H3
InChIKeyAMZLTPSEQNJWMT-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 9-methyl-5-propyltetradecane

9-methyl-5-propyltetradecane (PubChem CID 59977731) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 9-methyl-5-propyltetradecane.

Molecular Properties

Compound Name9-methyl-5-propyltetradecane
PubChem CID59977731
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name9-methyl-5-propyltetradecane
SMILESCCCCCC(C)CCCC(CCC)CCCC
InChIInChI=1S/C18H38/c1-5-8-10-13-17(4)14-11-16-18(12-7-3)15-9-6-2/h17-18H,5-16H2,1-4H3
InChIKeyAMZLTPSEQNJWMT-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.98
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

10-methyl-6,15-dipropylicosane
CID 144641599
13-methyl-24-tetradecyltritetracontane
CID 173071329
3-methyl-7-propylundecane
CID 123449834
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532
5-propylpentacosane
CID 91493421
5,9-dibutyl-13-propylheptadecane
CID 58862392
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
24-docosyl-21-methylheptatetracontane
CID 173071241
4,8,14-trimethyltetratriacontane
CID 6431076

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-propyltetradecane?
The IUPAC name of 9-methyl-5-propyltetradecane (CID 59977731) is 9-methyl-5-propyltetradecane.
What is the SMILES notation for 9-methyl-5-propyltetradecane?
The canonical SMILES for 9-methyl-5-propyltetradecane is CCCCCC(C)CCCC(CCC)CCCC.
What is the InChIKey of 9-methyl-5-propyltetradecane?
The InChIKey is AMZLTPSEQNJWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-8-10-13-17(4)14-11-16-18(12-7-3)15-9-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 9-methyl-5-propyltetradecane?
9-methyl-5-propyltetradecane has a molecular weight of 254.50 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-propyltetradecane is sourced from PubChem (CID 59977731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).