3-methylbutanoic acid;2-methyloxolane

C10H20O3 — CID 130176463

IUPAC3-methylbutanoic acid;2-methyloxolane
SMILESCC(C)CC(=O)O.CC1CCCO1
InChIInChI=1S/C5H10O2.C5H10O/c1-4(2)3-5(6)7;1-5-3-2-4-6-5/h4H,3H2,1-2H3,(H,6,7);5H,2-4H2,1H3
InChIKeyAIYSXPIHMSUHNY-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds2

About 3-methylbutanoic acid;2-methyloxolane

3-methylbutanoic acid;2-methyloxolane (PubChem CID 130176463) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methylbutanoic acid;2-methyloxolane.

Molecular Properties

Compound Name3-methylbutanoic acid;2-methyloxolane
PubChem CID130176463
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methylbutanoic acid;2-methyloxolane
SMILESCC(C)CC(=O)O.CC1CCCO1
InChIInChI=1S/C5H10O2.C5H10O/c1-4(2)3-5(6)7;1-5-3-2-4-6-5/h4H,3H2,1-2H3,(H,6,7);5H,2-4H2,1H3
InChIKeyAIYSXPIHMSUHNY-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
3-(oxolan-2-yl)butanoic acid
CID 3727496
3-methyl-1-(oxolan-2-yl)butan-1-one
CID 23514782
ethane;formaldehyde;2-methyloxolane
CID 145378358
diethyl carbonate;2-methyloxolane
CID 174662331
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
hydrazine;3-methylbutanoic acid
CID 175217584
4,4-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855942
2-methyloxane;propane
CID 171074580

Frequently Asked Questions

What is the IUPAC name of 3-methylbutanoic acid;2-methyloxolane?
The IUPAC name of 3-methylbutanoic acid;2-methyloxolane (CID 130176463) is 3-methylbutanoic acid;2-methyloxolane.
What is the SMILES notation for 3-methylbutanoic acid;2-methyloxolane?
The canonical SMILES for 3-methylbutanoic acid;2-methyloxolane is CC(C)CC(=O)O.CC1CCCO1.
What is the InChIKey of 3-methylbutanoic acid;2-methyloxolane?
The InChIKey is AIYSXPIHMSUHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C5H10O/c1-4(2)3-5(6)7;1-5-3-2-4-6-5/h4H,3H2,1-2H3,(H,6,7);5H,2-4H2,1H3.
What are the key properties of 3-methylbutanoic acid;2-methyloxolane?
3-methylbutanoic acid;2-methyloxolane has a molecular weight of 188.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutanoic acid;2-methyloxolane is sourced from PubChem (CID 130176463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).