5-methyl-4-propan-2-yltetradecane

C18H38 — CID 123996280

IUPAC5-methyl-4-propan-2-yltetradecane
SMILESCCCCCCCCCC(C)C(CCC)C(C)C
InChIInChI=1S/C18H38/c1-6-8-9-10-11-12-13-15-17(5)18(14-7-2)16(3)4/h16-18H,6-15H2,1-5H3
InChIKeyIRBDWFOMXOLHCT-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds12

About 5-methyl-4-propan-2-yltetradecane

5-methyl-4-propan-2-yltetradecane (PubChem CID 123996280) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yltetradecane.

Molecular Properties

Compound Name5-methyl-4-propan-2-yltetradecane
PubChem CID123996280
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name5-methyl-4-propan-2-yltetradecane
SMILESCCCCCCCCCC(C)C(CCC)C(C)C
InChIInChI=1S/C18H38/c1-6-8-9-10-11-12-13-15-17(5)18(14-7-2)16(3)4/h16-18H,6-15H2,1-5H3
InChIKeyIRBDWFOMXOLHCT-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.84
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-methyl-3-propan-2-yltetradecane
CID 154298453
4,5-dimethylnonadecane
CID 123321090
2,3-dimethylnonacosane
CID 71331945
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
3-propan-2-yltridecan-2-amine
CID 63401691
3-propan-2-yldecan-2-amine
CID 63401734

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yltetradecane?
The IUPAC name of 5-methyl-4-propan-2-yltetradecane (CID 123996280) is 5-methyl-4-propan-2-yltetradecane.
What is the SMILES notation for 5-methyl-4-propan-2-yltetradecane?
The canonical SMILES for 5-methyl-4-propan-2-yltetradecane is CCCCCCCCCC(C)C(CCC)C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yltetradecane?
The InChIKey is IRBDWFOMXOLHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-8-9-10-11-12-13-15-17(5)18(14-7-2)16(3)4/h16-18H,6-15H2,1-5H3.
What are the key properties of 5-methyl-4-propan-2-yltetradecane?
5-methyl-4-propan-2-yltetradecane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yltetradecane is sourced from PubChem (CID 123996280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).