2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid

C11H20O3 — CID 81008948

IUPAC2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
SMILESCC(CCC1CCCO1)C(C)C(=O)O
InChIInChI=1S/C11H20O3/c1-8(9(2)11(12)13)5-6-10-4-3-7-14-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyGHWPKYGUFYLCJH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds5

About 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid

2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid (PubChem CID 81008948) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
PubChem CID81008948
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
SMILESCC(CCC1CCCO1)C(C)C(=O)O
InChIInChI=1S/C11H20O3/c1-8(9(2)11(12)13)5-6-10-4-3-7-14-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyGHWPKYGUFYLCJH-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid?
The IUPAC name of 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid (CID 81008948) is 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid.
What is the SMILES notation for 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid?
The canonical SMILES for 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid is CC(CCC1CCCO1)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid?
The InChIKey is GHWPKYGUFYLCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(9(2)11(12)13)5-6-10-4-3-7-14-10/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid?
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid is sourced from PubChem (CID 81008948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).