CID 87948469

C5H10KO2 — CID 87948469

IUPAC—
SMILESCC(C)CC(=O)O.[K]
InChIInChI=1S/C5H10O2.K/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyVSHBTBSAVZPCAO-UHFFFAOYSA-N
MW141.23 g/mol
LogP0.74
Rot. Bonds2

About CID 87948469

CID 87948469 (PubChem CID 87948469) has the molecular formula C5H10KO2 and a molecular weight of 141.23 g/mol.

Molecular Properties

Compound NameCID 87948469
PubChem CID87948469
Molecular FormulaC5H10KO2
Molecular Weight141.23 g/mol
Exact Mass141.03
IUPAC Name—
SMILESCC(C)CC(=O)O.[K]
InChIInChI=1S/C5H10O2.K/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyVSHBTBSAVZPCAO-UHFFFAOYSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90459779
CID 90459779
strontium;hydride;3-methylpentanedioic acid
CID 173490798
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
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Frequently Asked Questions

What is the IUPAC name of CID 87948469?
The IUPAC name of CID 87948469 (CID 87948469) is not available.
What is the SMILES notation for CID 87948469?
The canonical SMILES for CID 87948469 is CC(C)CC(=O)O.[K].
What is the InChIKey of CID 87948469?
The InChIKey is VSHBTBSAVZPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.K/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);.
What are the key properties of CID 87948469?
CID 87948469 has a molecular weight of 141.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87948469 is sourced from PubChem (CID 87948469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).