(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane

C16H34 — CID 58193630

IUPAC(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
SMILESCCC[C@H](C)C[C@@](C)(CCC)CC(C)(C)C
InChIInChI=1S/C16H34/c1-8-10-14(3)12-16(7,11-9-2)13-15(4,5)6/h14H,8-13H2,1-7H3/t14-,16+/m0/s1
InChIKeySTJZQPCEFXVRLJ-GOEBONIOSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds7

About (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane

(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane (PubChem CID 58193630) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane.

Molecular Properties

Compound Name(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
PubChem CID58193630
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
SMILESCCC[C@H](C)C[C@@](C)(CCC)CC(C)(C)C
InChIInChI=1S/C16H34/c1-8-10-14(3)12-16(7,11-9-2)13-15(4,5)6/h14H,8-13H2,1-7H3/t14-,16+/m0/s1
InChIKeySTJZQPCEFXVRLJ-GOEBONIOSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;(5R)-3,3,5-trimethyloctane
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3,6,6,8-tetramethylundecane
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1,1,1-trichloro-3-methylhexane
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4,7,7,10-tetramethyltridecane
CID 123261465
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
CID 143713458
4,6,6-trimethyldodecane
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1-chloro-2,2,4-trimethylheptane
CID 66059738

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane?
The IUPAC name of (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane (CID 58193630) is (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane.
What is the SMILES notation for (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane?
The canonical SMILES for (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane is CCC[C@H](C)C[C@@](C)(CCC)CC(C)(C)C.
What is the InChIKey of (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane?
The InChIKey is STJZQPCEFXVRLJ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H34/c1-8-10-14(3)12-16(7,11-9-2)13-15(4,5)6/h14H,8-13H2,1-7H3/t14-,16+/m0/s1.
What are the key properties of (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane?
(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2,2,4,6-tetramethyl-4-propylnonane is sourced from PubChem (CID 58193630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).