8-butan-2-yl-4-methyltetradecane

C19H40 — CID 123224994

IUPAC8-butan-2-yl-4-methyltetradecane
SMILESCCCCCCC(CCCC(C)CCC)C(C)CC
InChIInChI=1S/C19H40/c1-6-9-10-11-15-19(18(5)8-3)16-12-14-17(4)13-7-2/h17-19H,6-16H2,1-5H3
InChIKeyWHWDTSSGDIUTNN-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.23
Rot. Bonds13

About 8-butan-2-yl-4-methyltetradecane

8-butan-2-yl-4-methyltetradecane (PubChem CID 123224994) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 8-butan-2-yl-4-methyltetradecane.

Molecular Properties

Compound Name8-butan-2-yl-4-methyltetradecane
PubChem CID123224994
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name8-butan-2-yl-4-methyltetradecane
SMILESCCCCCCC(CCCC(C)CCC)C(C)CC
InChIInChI=1S/C19H40/c1-6-9-10-11-15-19(18(5)8-3)16-12-14-17(4)13-7-2/h17-19H,6-16H2,1-5H3
InChIKeyWHWDTSSGDIUTNN-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.23
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-butyl-4,12-dimethylhexacosane
CID 153276658
4,8,14-trimethyltetratriacontane
CID 6431076
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4-methyltritriacontane
CID 71346224
4,10-dimethyltriacontane
CID 6430425
4-ethyl-3-methylundecane
CID 57279647
10,14,18-trimethyldotriacontane
CID 86017574
15,19-dimethylpentatriacontane
CID 521781

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-4-methyltetradecane?
The IUPAC name of 8-butan-2-yl-4-methyltetradecane (CID 123224994) is 8-butan-2-yl-4-methyltetradecane.
What is the SMILES notation for 8-butan-2-yl-4-methyltetradecane?
The canonical SMILES for 8-butan-2-yl-4-methyltetradecane is CCCCCCC(CCCC(C)CCC)C(C)CC.
What is the InChIKey of 8-butan-2-yl-4-methyltetradecane?
The InChIKey is WHWDTSSGDIUTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-6-9-10-11-15-19(18(5)8-3)16-12-14-17(4)13-7-2/h17-19H,6-16H2,1-5H3.
What are the key properties of 8-butan-2-yl-4-methyltetradecane?
8-butan-2-yl-4-methyltetradecane has a molecular weight of 268.53 g/mol, XLogP of 7.23, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-4-methyltetradecane is sourced from PubChem (CID 123224994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).