2,3,14,15-tetramethylhenicosane

C25H52 — CID 123460288

IUPAC2,3,14,15-tetramethylhenicosane
SMILESCCCCCCC(C)C(C)CCCCCCCCCCC(C)C(C)C
InChIInChI=1S/C25H52/c1-7-8-9-16-20-24(5)25(6)21-18-15-13-11-10-12-14-17-19-23(4)22(2)3/h22-25H,7-21H2,1-6H3
InChIKeyQIOKCOLKCCBKKZ-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.42
Rot. Bonds18

About 2,3,14,15-tetramethylhenicosane

2,3,14,15-tetramethylhenicosane (PubChem CID 123460288) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 2,3,14,15-tetramethylhenicosane.

Molecular Properties

Compound Name2,3,14,15-tetramethylhenicosane
PubChem CID123460288
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name2,3,14,15-tetramethylhenicosane
SMILESCCCCCCC(C)C(C)CCCCCCCCCCC(C)C(C)C
InChIInChI=1S/C25H52/c1-7-8-9-16-20-24(5)25(6)21-18-15-13-11-10-12-14-17-19-23(4)22(2)3/h22-25H,7-21H2,1-6H3
InChIKeyQIOKCOLKCCBKKZ-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.42
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

2,3-dimethylnonacosane
CID 71331945
(3S)-2,3-dimethylnonane;methane
CID 159246988
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
11,12-dimethyltricosane
CID 173430605
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099

Frequently Asked Questions

What is the IUPAC name of 2,3,14,15-tetramethylhenicosane?
The IUPAC name of 2,3,14,15-tetramethylhenicosane (CID 123460288) is 2,3,14,15-tetramethylhenicosane.
What is the SMILES notation for 2,3,14,15-tetramethylhenicosane?
The canonical SMILES for 2,3,14,15-tetramethylhenicosane is CCCCCCC(C)C(C)CCCCCCCCCCC(C)C(C)C.
What is the InChIKey of 2,3,14,15-tetramethylhenicosane?
The InChIKey is QIOKCOLKCCBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-7-8-9-16-20-24(5)25(6)21-18-15-13-11-10-12-14-17-19-23(4)22(2)3/h22-25H,7-21H2,1-6H3.
What are the key properties of 2,3,14,15-tetramethylhenicosane?
2,3,14,15-tetramethylhenicosane has a molecular weight of 352.69 g/mol, XLogP of 9.42, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,14,15-tetramethylhenicosane is sourced from PubChem (CID 123460288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).