(5S,6R)-2,5,6-trimethyldecane

C13H28 — CID 154723790

IUPAC(5S,6R)-2,5,6-trimethyldecane
SMILESCCCC[C@@H](C)[C@@H](C)CCC(C)C
InChIInChI=1S/C13H28/c1-6-7-8-12(4)13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3/t12-,13+/m1/s1
InChIKeyHBEWRUSPWIMDCH-OLZOCXBDSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About (5S,6R)-2,5,6-trimethyldecane

(5S,6R)-2,5,6-trimethyldecane (PubChem CID 154723790) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is (5S,6R)-2,5,6-trimethyldecane.

Molecular Properties

Compound Name(5S,6R)-2,5,6-trimethyldecane
PubChem CID154723790
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name(5S,6R)-2,5,6-trimethyldecane
SMILESCCCC[C@@H](C)[C@@H](C)CCC(C)C
InChIInChI=1S/C13H28/c1-6-7-8-12(4)13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3/t12-,13+/m1/s1
InChIKeyHBEWRUSPWIMDCH-OLZOCXBDSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6,14,15-tetramethylnonadecane
CID 123473711
5-butyl-2,6-dimethyldecane
CID 123775332
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
11,12-dimethyloctacosane
CID 23345853
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
CID 91544051
CID 91544051
11,12-dimethyltricosane
CID 173430605
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-2,5,6-trimethyldecane?
The IUPAC name of (5S,6R)-2,5,6-trimethyldecane (CID 154723790) is (5S,6R)-2,5,6-trimethyldecane.
What is the SMILES notation for (5S,6R)-2,5,6-trimethyldecane?
The canonical SMILES for (5S,6R)-2,5,6-trimethyldecane is CCCC[C@@H](C)[C@@H](C)CCC(C)C.
What is the InChIKey of (5S,6R)-2,5,6-trimethyldecane?
The InChIKey is HBEWRUSPWIMDCH-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H28/c1-6-7-8-12(4)13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (5S,6R)-2,5,6-trimethyldecane?
(5S,6R)-2,5,6-trimethyldecane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-2,5,6-trimethyldecane is sourced from PubChem (CID 154723790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).