2-methyl-3-propan-2-yltetradecane

C18H38 — CID 154298453

IUPAC2-methyl-3-propan-2-yltetradecane
SMILESCCCCCCCCCCCC(C(C)C)C(C)C
InChIInChI=1S/C18H38/c1-6-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4)5/h16-18H,6-15H2,1-5H3
InChIKeyMYTYGGGHQTWGQM-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds12

About 2-methyl-3-propan-2-yltetradecane

2-methyl-3-propan-2-yltetradecane (PubChem CID 154298453) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yltetradecane.

Molecular Properties

Compound Name2-methyl-3-propan-2-yltetradecane
PubChem CID154298453
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2-methyl-3-propan-2-yltetradecane
SMILESCCCCCCCCCCCC(C(C)C)C(C)C
InChIInChI=1S/C18H38/c1-6-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4)5/h16-18H,6-15H2,1-5H3
InChIKeyMYTYGGGHQTWGQM-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

3-propan-2-yldodecan-2-amine
CID 63401694
3-propan-2-yltridecan-2-amine
CID 63401691
3-propan-2-yldecan-2-amine
CID 63401734
5-methyl-4-propan-2-yltetradecane
CID 123996280
N-ethyl-3-propan-2-ylnonan-2-amine
CID 63401515
7-butyl-2-methyl-6-propan-2-yltridecane
CID 123825241
6,10-dimethyloctadecane
CID 86144179
7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yltetradecane?
The IUPAC name of 2-methyl-3-propan-2-yltetradecane (CID 154298453) is 2-methyl-3-propan-2-yltetradecane.
What is the SMILES notation for 2-methyl-3-propan-2-yltetradecane?
The canonical SMILES for 2-methyl-3-propan-2-yltetradecane is CCCCCCCCCCCC(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-yltetradecane?
The InChIKey is MYTYGGGHQTWGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4)5/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-methyl-3-propan-2-yltetradecane?
2-methyl-3-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 2-methyl-3-propan-2-yltetradecane is sourced from PubChem (CID 154298453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).