2,13-dimethyl-4-propan-2-yltetradecane

C19H40 — CID 140816601

IUPAC2,13-dimethyl-4-propan-2-yltetradecane
SMILESCC(C)CCCCCCCCC(CC(C)C)C(C)C
InChIInChI=1S/C19H40/c1-16(2)13-11-9-7-8-10-12-14-19(18(5)6)15-17(3)4/h16-19H,7-15H2,1-6H3
InChIKeyTZAITCITWVTPLK-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.08
Rot. Bonds12

About 2,13-dimethyl-4-propan-2-yltetradecane

2,13-dimethyl-4-propan-2-yltetradecane (PubChem CID 140816601) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2,13-dimethyl-4-propan-2-yltetradecane.

Molecular Properties

Compound Name2,13-dimethyl-4-propan-2-yltetradecane
PubChem CID140816601
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name2,13-dimethyl-4-propan-2-yltetradecane
SMILESCC(C)CCCCCCCCC(CC(C)C)C(C)C
InChIInChI=1S/C19H40/c1-16(2)13-11-9-7-8-10-12-14-19(18(5)6)15-17(3)4/h16-19H,7-15H2,1-6H3
InChIKeyTZAITCITWVTPLK-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.08
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

2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
CID 158451501
7-methyl-5-propan-2-yloctan-1-ol
CID 143448333
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2-methyl-4-propan-2-ylheptane
CID 21201044
7-(2-methylpropyl)-6-pentyltridecane
CID 54089544
2,5,11-trimethyl-4-propyldodecane
CID 123176237
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
6-propan-2-yltridecane
CID 123704479

Frequently Asked Questions

What is the IUPAC name of 2,13-dimethyl-4-propan-2-yltetradecane?
The IUPAC name of 2,13-dimethyl-4-propan-2-yltetradecane (CID 140816601) is 2,13-dimethyl-4-propan-2-yltetradecane.
What is the SMILES notation for 2,13-dimethyl-4-propan-2-yltetradecane?
The canonical SMILES for 2,13-dimethyl-4-propan-2-yltetradecane is CC(C)CCCCCCCCC(CC(C)C)C(C)C.
What is the InChIKey of 2,13-dimethyl-4-propan-2-yltetradecane?
The InChIKey is TZAITCITWVTPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-16(2)13-11-9-7-8-10-12-14-19(18(5)6)15-17(3)4/h16-19H,7-15H2,1-6H3.
What are the key properties of 2,13-dimethyl-4-propan-2-yltetradecane?
2,13-dimethyl-4-propan-2-yltetradecane has a molecular weight of 268.53 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dimethyl-4-propan-2-yltetradecane is sourced from PubChem (CID 140816601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).