4,11,14,16-tetramethylicosane

C24H50 — CID 123438722

IUPAC4,11,14,16-tetramethylicosane
SMILESCCCCC(C)CC(C)CCC(C)CCCCCCC(C)CCC
InChIInChI=1S/C24H50/c1-7-9-15-23(5)20-24(6)19-18-22(4)17-13-11-10-12-16-21(3)14-8-2/h21-24H,7-20H2,1-6H3
InChIKeyVNRQYOSTCBSCME-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.03
Rot. Bonds17

About 4,11,14,16-tetramethylicosane

4,11,14,16-tetramethylicosane (PubChem CID 123438722) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 4,11,14,16-tetramethylicosane.

Molecular Properties

Compound Name4,11,14,16-tetramethylicosane
PubChem CID123438722
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name4,11,14,16-tetramethylicosane
SMILESCCCCC(C)CC(C)CCC(C)CCCCCCC(C)CCC
InChIInChI=1S/C24H50/c1-7-9-15-23(5)20-24(6)19-18-22(4)17-13-11-10-12-16-21(3)14-8-2/h21-24H,7-20H2,1-6H3
InChIKeyVNRQYOSTCBSCME-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.03
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

(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
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(4R,6S)-4,6-dimethyldodecane
CID 162976966
5,15,17-trimethylpentatriacontane
CID 172565406
4,13-dimethylheptadecane
CID 6430494
5,7,10-trimethyltetradecane
CID 91033593
3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
CID 161458524
15,19,21-trimethylheptatriacontane
CID 20837834
5,8,18,24-tetramethylhentriacontane
CID 6430103
4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of 4,11,14,16-tetramethylicosane?
The IUPAC name of 4,11,14,16-tetramethylicosane (CID 123438722) is 4,11,14,16-tetramethylicosane.
What is the SMILES notation for 4,11,14,16-tetramethylicosane?
The canonical SMILES for 4,11,14,16-tetramethylicosane is CCCCC(C)CC(C)CCC(C)CCCCCCC(C)CCC.
What is the InChIKey of 4,11,14,16-tetramethylicosane?
The InChIKey is VNRQYOSTCBSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-7-9-15-23(5)20-24(6)19-18-22(4)17-13-11-10-12-16-21(3)14-8-2/h21-24H,7-20H2,1-6H3.
What are the key properties of 4,11,14,16-tetramethylicosane?
4,11,14,16-tetramethylicosane has a molecular weight of 338.66 g/mol, XLogP of 9.03, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,14,16-tetramethylicosane is sourced from PubChem (CID 123438722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).