(5R)-3-cyano-5,7-dimethyloctanoic acid

C11H19NO2 — CID 23649086

IUPAC(5R)-3-cyano-5,7-dimethyloctanoic acid
SMILESCC(C)C[C@@H](C)CC(C#N)CC(=O)O
InChIInChI=1S/C11H19NO2/c1-8(2)4-9(3)5-10(7-12)6-11(13)14/h8-10H,4-6H2,1-3H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyVNZBQRMQIHGAJN-YHMJZVADSA-N
MW197.28 g/mol
LogP2.67
Rot. Bonds6

About (5R)-3-cyano-5,7-dimethyloctanoic acid

(5R)-3-cyano-5,7-dimethyloctanoic acid (PubChem CID 23649086) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (5R)-3-cyano-5,7-dimethyloctanoic acid.

Molecular Properties

Compound Name(5R)-3-cyano-5,7-dimethyloctanoic acid
PubChem CID23649086
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(5R)-3-cyano-5,7-dimethyloctanoic acid
SMILESCC(C)C[C@@H](C)CC(C#N)CC(=O)O
InChIInChI=1S/C11H19NO2/c1-8(2)4-9(3)5-10(7-12)6-11(13)14/h8-10H,4-6H2,1-3H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyVNZBQRMQIHGAJN-YHMJZVADSA-N
XLogP2.67
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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argon;3-methylbutanoic acid
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CID 87948469
CID 87948469
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Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyano-5,7-dimethyloctanoic acid?
The IUPAC name of (5R)-3-cyano-5,7-dimethyloctanoic acid (CID 23649086) is (5R)-3-cyano-5,7-dimethyloctanoic acid.
What is the SMILES notation for (5R)-3-cyano-5,7-dimethyloctanoic acid?
The canonical SMILES for (5R)-3-cyano-5,7-dimethyloctanoic acid is CC(C)C[C@@H](C)CC(C#N)CC(=O)O.
What is the InChIKey of (5R)-3-cyano-5,7-dimethyloctanoic acid?
The InChIKey is VNZBQRMQIHGAJN-YHMJZVADSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)4-9(3)5-10(7-12)6-11(13)14/h8-10H,4-6H2,1-3H3,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (5R)-3-cyano-5,7-dimethyloctanoic acid?
(5R)-3-cyano-5,7-dimethyloctanoic acid has a molecular weight of 197.28 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyano-5,7-dimethyloctanoic acid is sourced from PubChem (CID 23649086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).