(2R)-2-methylhexanoate

C7H13O2- — CID 6999857

IUPAC(2R)-2-methylhexanoate
SMILESCCCC[C@@H](C)C(=O)[O-]
InChIInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1
InChIKeyCVKMFSAVYPAZTQ-ZCFIWIBFSA-M
MW129.18 g/mol
LogP0.56
Rot. Bonds4

About (2R)-2-methylhexanoate

(2R)-2-methylhexanoate (PubChem CID 6999857) has the molecular formula C7H13O2- and a molecular weight of 129.18 g/mol. Its IUPAC name is (2R)-2-methylhexanoate.

Molecular Properties

Compound Name(2R)-2-methylhexanoate
PubChem CID6999857
Molecular FormulaC7H13O2-
Molecular Weight129.18 g/mol
Exact Mass129.09
IUPAC Name(2R)-2-methylhexanoate
SMILESCCCC[C@@H](C)C(=O)[O-]
InChIInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1
InChIKeyCVKMFSAVYPAZTQ-ZCFIWIBFSA-M
XLogP0.56
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

copper bis(2-methylhexanoate)
CID 19768945
magnesium bis(2-methylnonanoate)
CID 175226104
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylpentanoate)
CID 140813982
6,10-dihydroxy-2,6,10-trimethylpentadecanoate
CID 59229283
1,1'-biphenyl;2-methyloctanoate
CID 22157313
6-hydroxy-2,6-dimethylnonanoate
CID 59271392
6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455
dipotassium;2-methylhexanedioate
CID 88781923
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
6-azaniumyl-2-methylhexanoate
CID 58988616
(2R)-2-acetamidohexanoate
CID 6995105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylhexanoate?
The IUPAC name of (2R)-2-methylhexanoate (CID 6999857) is (2R)-2-methylhexanoate.
What is the SMILES notation for (2R)-2-methylhexanoate?
The canonical SMILES for (2R)-2-methylhexanoate is CCCC[C@@H](C)C(=O)[O-].
What is the InChIKey of (2R)-2-methylhexanoate?
The InChIKey is CVKMFSAVYPAZTQ-ZCFIWIBFSA-M. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-methylhexanoate?
(2R)-2-methylhexanoate has a molecular weight of 129.18 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylhexanoate is sourced from PubChem (CID 6999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).