(10S,11S)-10,11-dimethylicosane

C22H46 — CID 14870619

IUPAC(10S,11S)-10,11-dimethylicosane
SMILESCCCCCCCCC[C@H](C)[C@@H](C)CCCCCCCCC
InChIInChI=1S/C22H46/c1-5-7-9-11-13-15-17-19-21(3)22(4)20-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3/t21-,22-/m0/s1
InChIKeyFQUKLYIORXDPRI-VXKWHMMOSA-N
MW310.61 g/mol
LogP8.54
Rot. Bonds17

About (10S,11S)-10,11-dimethylicosane

(10S,11S)-10,11-dimethylicosane (PubChem CID 14870619) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is (10S,11S)-10,11-dimethylicosane.

Molecular Properties

Compound Name(10S,11S)-10,11-dimethylicosane
PubChem CID14870619
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name(10S,11S)-10,11-dimethylicosane
SMILESCCCCCCCCC[C@H](C)[C@@H](C)CCCCCCCCC
InChIInChI=1S/C22H46/c1-5-7-9-11-13-15-17-19-21(3)22(4)20-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3/t21-,22-/m0/s1
InChIKeyFQUKLYIORXDPRI-VXKWHMMOSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.54
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

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945
8,11,12-trimethyltricosane
CID 175564994
2,3-dimethylpentadecan-1-amine
CID 81010439
2,4,5-trimethyldodecane
CID 123969029

Frequently Asked Questions

What is the IUPAC name of (10S,11S)-10,11-dimethylicosane?
The IUPAC name of (10S,11S)-10,11-dimethylicosane (CID 14870619) is (10S,11S)-10,11-dimethylicosane.
What is the SMILES notation for (10S,11S)-10,11-dimethylicosane?
The canonical SMILES for (10S,11S)-10,11-dimethylicosane is CCCCCCCCC[C@H](C)[C@@H](C)CCCCCCCCC.
What is the InChIKey of (10S,11S)-10,11-dimethylicosane?
The InChIKey is FQUKLYIORXDPRI-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H46/c1-5-7-9-11-13-15-17-19-21(3)22(4)20-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3/t21-,22-/m0/s1.
What are the key properties of (10S,11S)-10,11-dimethylicosane?
(10S,11S)-10,11-dimethylicosane has a molecular weight of 310.61 g/mol, XLogP of 8.54, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11S)-10,11-dimethylicosane is sourced from PubChem (CID 14870619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).