ethane;pentanoic acid

C7H16O2 — CID 142198531

IUPACethane;pentanoic acid
SMILESCC.CCCCC(=O)O
InChIInChI=1S/C5H10O2.C2H6/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);1-2H3
InChIKeyCACJFBVHFOAPPJ-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.29
Rot. Bonds3

About ethane;pentanoic acid

ethane;pentanoic acid (PubChem CID 142198531) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is ethane;pentanoic acid.

Molecular Properties

Compound Nameethane;pentanoic acid
PubChem CID142198531
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameethane;pentanoic acid
SMILESCC.CCCCC(=O)O
InChIInChI=1S/C5H10O2.C2H6/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);1-2H3
InChIKeyCACJFBVHFOAPPJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159436476
pentanoic acid;silver
CID 87285302
pentanoic acid;stannane
CID 173249748
acetic acid;pentanoic acid
CID 87061456
hypochlorous acid;pentanoic acid
CID 157152267
icosane;pentanoic acid
CID 159151393
CID 174614333
CID 174614333
pentanoic acid;propan-1-ol
CID 87061359
ethane;bis(tetradecanoic acid)
CID 160722701
pentanoic acid;urea;hydrochloride
CID 174794672
oxalonitrile;pentanoic acid
CID 160836976

Frequently Asked Questions

What is the IUPAC name of ethane;pentanoic acid?
The IUPAC name of ethane;pentanoic acid (CID 142198531) is ethane;pentanoic acid.
What is the SMILES notation for ethane;pentanoic acid?
The canonical SMILES for ethane;pentanoic acid is CC.CCCCC(=O)O.
What is the InChIKey of ethane;pentanoic acid?
The InChIKey is CACJFBVHFOAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H6/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);1-2H3.
What are the key properties of ethane;pentanoic acid?
ethane;pentanoic acid has a molecular weight of 132.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentanoic acid is sourced from PubChem (CID 142198531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).