(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid

C14H28O2 — CID 163059027

IUPAC(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
SMILESCC[C@H](C)C[C@H](C)C[C@H](C)C[C@@H](C)C(=O)O
InChIInChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)/t10-,11-,12-,13+/m0/s1
InChIKeyPXMIDIKFWCXFNC-ZDEQEGDKSA-N
MW228.38 g/mol
LogP4.20
Rot. Bonds8

About (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid

(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid (PubChem CID 163059027) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid.

Molecular Properties

Compound Name(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
PubChem CID163059027
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
SMILESCC[C@H](C)C[C@H](C)C[C@H](C)C[C@@H](C)C(=O)O
InChIInChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)/t10-,11-,12-,13+/m0/s1
InChIKeyPXMIDIKFWCXFNC-ZDEQEGDKSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6,8-tetramethyldecanoic acid
CID 5312348
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
CID 94036784
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
2-(5-methylheptan-3-yl)propanedioic acid
CID 175206288
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
ethane;2-methylbutanoic acid
CID 87621166
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 88513173
CID 88513173
methane;(2S)-2-methylbutanoic acid
CID 159302978
iron;2-methylbutanoic acid
CID 175205801

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid?
The IUPAC name of (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid (CID 163059027) is (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid.
What is the SMILES notation for (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid?
The canonical SMILES for (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid is CC[C@H](C)C[C@H](C)C[C@H](C)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid?
The InChIKey is PXMIDIKFWCXFNC-ZDEQEGDKSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)/t10-,11-,12-,13+/m0/s1.
What are the key properties of (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid?
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid is sourced from PubChem (CID 163059027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).