(4S,6S,8S)-2,4,6,8-tetramethyltetracosane

C28H58 — CID 141213214

IUPAC(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
SMILESCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@@H](C)CC(C)C
InChIInChI=1S/C28H58/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4)23-28(6)24-27(5)22-25(2)3/h25-28H,7-24H2,1-6H3/t26-,27-,28-/m0/s1
InChIKeyPYVAVOKSCVGTAP-KCHLEUMXSA-N
MW394.77 g/mol
LogP10.59
Rot. Bonds21

About (4S,6S,8S)-2,4,6,8-tetramethyltetracosane

(4S,6S,8S)-2,4,6,8-tetramethyltetracosane (PubChem CID 141213214) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is (4S,6S,8S)-2,4,6,8-tetramethyltetracosane.

Molecular Properties

Compound Name(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
PubChem CID141213214
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
SMILESCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@@H](C)CC(C)C
InChIInChI=1S/C28H58/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4)23-28(6)24-27(5)22-25(2)3/h25-28H,7-24H2,1-6H3/t26-,27-,28-/m0/s1
InChIKeyPYVAVOKSCVGTAP-KCHLEUMXSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.59
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

2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
2,4,8-trimethyloctacosane
CID 91751081
6,8-dimethylhexadecane
CID 91185725
2,24,26-trimethyldotetracontane
CID 91249721
2,4,6,10-tetramethyltetradecane
CID 123234776
(4R,6S)-4,6-dimethyldodecane
CID 162976966
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
2,4,6,12-tetramethylheptadecan-9-ol
CID 140668394
3,5-dimethylpentacosane
CID 86177199
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903

Frequently Asked Questions

What is the IUPAC name of (4S,6S,8S)-2,4,6,8-tetramethyltetracosane?
The IUPAC name of (4S,6S,8S)-2,4,6,8-tetramethyltetracosane (CID 141213214) is (4S,6S,8S)-2,4,6,8-tetramethyltetracosane.
What is the SMILES notation for (4S,6S,8S)-2,4,6,8-tetramethyltetracosane?
The canonical SMILES for (4S,6S,8S)-2,4,6,8-tetramethyltetracosane is CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@@H](C)CC(C)C.
What is the InChIKey of (4S,6S,8S)-2,4,6,8-tetramethyltetracosane?
The InChIKey is PYVAVOKSCVGTAP-KCHLEUMXSA-N. The full InChI is InChI=1S/C28H58/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4)23-28(6)24-27(5)22-25(2)3/h25-28H,7-24H2,1-6H3/t26-,27-,28-/m0/s1.
What are the key properties of (4S,6S,8S)-2,4,6,8-tetramethyltetracosane?
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane has a molecular weight of 394.77 g/mol, XLogP of 10.59, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S,8S)-2,4,6,8-tetramethyltetracosane is sourced from PubChem (CID 141213214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).