2,3,3,4-tetramethylnonadecane

C23H48 — CID 174953704

IUPAC2,3,3,4-tetramethylnonadecane
SMILESCCCCCCCCCCCCCCCC(C)C(C)(C)C(C)C
InChIInChI=1S/C23H48/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4)23(5,6)21(2)3/h21-22H,7-20H2,1-6H3
InChIKeyWANYRQLCDUZHPP-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.79
Rot. Bonds16

About 2,3,3,4-tetramethylnonadecane

2,3,3,4-tetramethylnonadecane (PubChem CID 174953704) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 2,3,3,4-tetramethylnonadecane.

Molecular Properties

Compound Name2,3,3,4-tetramethylnonadecane
PubChem CID174953704
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name2,3,3,4-tetramethylnonadecane
SMILESCCCCCCCCCCCCCCCC(C)C(C)(C)C(C)C
InChIInChI=1S/C23H48/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4)23(5,6)21(2)3/h21-22H,7-20H2,1-6H3
InChIKeyWANYRQLCDUZHPP-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.79
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

12-heptyl-11-hexyl-2,3,3,4,11,12-hexamethylnonadecane
CID 91509924
2,2,3-trimethylundecane
CID 21285055
2,3,3,4,8-pentamethylundecane
CID 54476600
2,3-dimethyltridecane-2-thiol
CID 175066611
2,3-dimethylhexadecan-2-amine
CID 87479269
2-chloro-2,3-dimethylnonane
CID 87897655
2-chloro-2,3-dimethyltridecane
CID 87222996
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3-ethyl-4-methyldodecan-3-ol
CID 173066950

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethylnonadecane?
The IUPAC name of 2,3,3,4-tetramethylnonadecane (CID 174953704) is 2,3,3,4-tetramethylnonadecane.
What is the SMILES notation for 2,3,3,4-tetramethylnonadecane?
The canonical SMILES for 2,3,3,4-tetramethylnonadecane is CCCCCCCCCCCCCCCC(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,4-tetramethylnonadecane?
The InChIKey is WANYRQLCDUZHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4)23(5,6)21(2)3/h21-22H,7-20H2,1-6H3.
What are the key properties of 2,3,3,4-tetramethylnonadecane?
2,3,3,4-tetramethylnonadecane has a molecular weight of 324.64 g/mol, XLogP of 8.79, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethylnonadecane is sourced from PubChem (CID 174953704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).