3-methylbutanoic acid;pentanoic acid

C10H20O4 — CID 87150377

IUPAC3-methylbutanoic acid;pentanoic acid
SMILESCC(C)CC(=O)O.CCCCC(=O)O
InChIInChI=1S/2C5H10O2/c1-4(2)3-5(6)7;1-2-3-4-5(6)7/h4H,3H2,1-2H3,(H,6,7);2-4H2,1H3,(H,6,7)
InChIKeyXBBUDLJGHIRQGD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.38
Rot. Bonds5

About 3-methylbutanoic acid;pentanoic acid

3-methylbutanoic acid;pentanoic acid (PubChem CID 87150377) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methylbutanoic acid;pentanoic acid.

Molecular Properties

Compound Name3-methylbutanoic acid;pentanoic acid
PubChem CID87150377
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3-methylbutanoic acid;pentanoic acid
SMILESCC(C)CC(=O)O.CCCCC(=O)O
InChIInChI=1S/2C5H10O2/c1-4(2)3-5(6)7;1-2-3-4-5(6)7/h4H,3H2,1-2H3,(H,6,7);2-4H2,1H3,(H,6,7)
InChIKeyXBBUDLJGHIRQGD-UHFFFAOYSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(butane-1-thiol);bis(3-methylbutanoic acid)
CID 174258141
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
3-methylbutanoic acid
CID 20849036
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
icosane;pentanoic acid
CID 159151393
acetic acid;pentanoic acid
CID 87061456
hypochlorous acid;pentanoic acid
CID 157152267
CID 174614333
CID 174614333

Frequently Asked Questions

What is the IUPAC name of 3-methylbutanoic acid;pentanoic acid?
The IUPAC name of 3-methylbutanoic acid;pentanoic acid (CID 87150377) is 3-methylbutanoic acid;pentanoic acid.
What is the SMILES notation for 3-methylbutanoic acid;pentanoic acid?
The canonical SMILES for 3-methylbutanoic acid;pentanoic acid is CC(C)CC(=O)O.CCCCC(=O)O.
What is the InChIKey of 3-methylbutanoic acid;pentanoic acid?
The InChIKey is XBBUDLJGHIRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2/c1-4(2)3-5(6)7;1-2-3-4-5(6)7/h4H,3H2,1-2H3,(H,6,7);2-4H2,1H3,(H,6,7).
What are the key properties of 3-methylbutanoic acid;pentanoic acid?
3-methylbutanoic acid;pentanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutanoic acid;pentanoic acid is sourced from PubChem (CID 87150377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).