(2R,6R)-2,6-dimethyloctanoic acid

C10H20O2 — CID 100977919

IUPAC(2R,6R)-2,6-dimethyloctanoic acid
SMILESCC[C@@H](C)CCC[C@@H](C)C(=O)O
InChIInChI=1S/C10H20O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyPTOMIMQFHPTADA-RKDXNWHRSA-N
MW172.27 g/mol
LogP2.92
Rot. Bonds6

About (2R,6R)-2,6-dimethyloctanoic acid

(2R,6R)-2,6-dimethyloctanoic acid (PubChem CID 100977919) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyloctanoic acid.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyloctanoic acid
PubChem CID100977919
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,6R)-2,6-dimethyloctanoic acid
SMILESCC[C@@H](C)CCC[C@@H](C)C(=O)O
InChIInChI=1S/C10H20O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyPTOMIMQFHPTADA-RKDXNWHRSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,15-dimethyloctadecanoic acid
CID 22251958
2,10-dimethyltridecanoic acid
CID 22251986
2,11-dimethylhexadecanoic acid
CID 22251936
(3R,7R)-3,7-dimethylnonane
CID 42626759
2-methylhexanoic acid;2-methylhexan-1-ol
CID 91342233
calcium;hydride;2-methylhexanoic acid
CID 173227921
methanol;2-methylheptanoic acid
CID 174821979
heptane;2-methylheptadecanoic acid
CID 175511035
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
2,5-dimethylhexadecanoic acid
CID 22251811
2-methyl-6-oxohexanoic acid
CID 19986900
2-methyloctanoic acid chloride
CID 86745562

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyloctanoic acid?
The IUPAC name of (2R,6R)-2,6-dimethyloctanoic acid (CID 100977919) is (2R,6R)-2,6-dimethyloctanoic acid.
What is the SMILES notation for (2R,6R)-2,6-dimethyloctanoic acid?
The canonical SMILES for (2R,6R)-2,6-dimethyloctanoic acid is CC[C@@H](C)CCC[C@@H](C)C(=O)O.
What is the InChIKey of (2R,6R)-2,6-dimethyloctanoic acid?
The InChIKey is PTOMIMQFHPTADA-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyloctanoic acid?
(2R,6R)-2,6-dimethyloctanoic acid has a molecular weight of 172.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyloctanoic acid is sourced from PubChem (CID 100977919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).