(4R,6S)-4,6-dimethyldodecane

C14H30 — CID 162976966

IUPAC(4R,6S)-4,6-dimethyldodecane
SMILESCCCCCC[C@H](C)C[C@H](C)CCC
InChIInChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyFNUQJWPIADDMRS-KGLIPLIRSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds9

About (4R,6S)-4,6-dimethyldodecane

(4R,6S)-4,6-dimethyldodecane (PubChem CID 162976966) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is (4R,6S)-4,6-dimethyldodecane.

Molecular Properties

Compound Name(4R,6S)-4,6-dimethyldodecane
PubChem CID162976966
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name(4R,6S)-4,6-dimethyldodecane
SMILESCCCCCC[C@H](C)C[C@H](C)CCC
InChIInChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyFNUQJWPIADDMRS-KGLIPLIRSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
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

6,8-dimethylhexadecane
CID 91185725
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
CID 161458524
4,11,14,16-tetramethylicosane
CID 123438722
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4,10-dimethyltriacontane
CID 6430425
(4R)-4-methylpentadecane
CID 98062361
4-methyltritriacontane
CID 71346224

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-dimethyldodecane?
The IUPAC name of (4R,6S)-4,6-dimethyldodecane (CID 162976966) is (4R,6S)-4,6-dimethyldodecane.
What is the SMILES notation for (4R,6S)-4,6-dimethyldodecane?
The canonical SMILES for (4R,6S)-4,6-dimethyldodecane is CCCCCC[C@H](C)C[C@H](C)CCC.
What is the InChIKey of (4R,6S)-4,6-dimethyldodecane?
The InChIKey is FNUQJWPIADDMRS-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (4R,6S)-4,6-dimethyldodecane?
(4R,6S)-4,6-dimethyldodecane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-dimethyldodecane is sourced from PubChem (CID 162976966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).