(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane

C28H58 — CID 11474903

IUPAC(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
SMILESCCCC[C@H](C)C[C@H](C)CCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCC
InChIInChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3/t23-,24+,25-,26+,27-,28+/m1/s1
InChIKeySTQCZSKIOVDDDU-JABWBWSPSA-N
MW394.77 g/mol
LogP10.30
Rot. Bonds19

About (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane

(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane (PubChem CID 11474903) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane.

Molecular Properties

Compound Name(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
PubChem CID11474903
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
SMILESCCCC[C@H](C)C[C@H](C)CCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCC
InChIInChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3/t23-,24+,25-,26+,27-,28+/m1/s1
InChIKeySTQCZSKIOVDDDU-JABWBWSPSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.30
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

4,11,14,16-tetramethylicosane
CID 123438722
(4R,6S)-4,6-dimethyldodecane
CID 162976966
5,15,17-trimethylpentatriacontane
CID 172565406
4,13-dimethylheptadecane
CID 6430494
6,8-dimethylhexadecane
CID 91185725
3,9,11-trimethyltetradecane
CID 158626683
3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
CID 161458524
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
15,19,21-trimethylheptatriacontane
CID 20837834
4,10-dimethyltriacontane
CID 6430425
(4R)-4-methyldecane
CID 57191620
4,9-dimethylpentadecane
CID 123851930

Frequently Asked Questions

What is the IUPAC name of (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane?
The IUPAC name of (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane (CID 11474903) is (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane.
What is the SMILES notation for (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane?
The canonical SMILES for (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane is CCCC[C@H](C)C[C@H](C)CCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCC.
What is the InChIKey of (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane?
The InChIKey is STQCZSKIOVDDDU-JABWBWSPSA-N. The full InChI is InChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3/t23-,24+,25-,26+,27-,28+/m1/s1.
What are the key properties of (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane?
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane has a molecular weight of 394.77 g/mol, XLogP of 10.30, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane is sourced from PubChem (CID 11474903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).