CID 138560563

C4H10O3 — CID 138560563

IUPAC—
SMILESC1CCC1.OOO
InChIInChI=1S/C4H8.H2O3/c1-2-4-3-1;1-3-2/h1-4H2;1-2H
InChIKeyIDBZNKAUKSSXNN-UHFFFAOYSA-N
MW106.12 g/mol
LogP1.51
Rot. Bonds

About CID 138560563

CID 138560563 (PubChem CID 138560563) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol.

Molecular Properties

Compound NameCID 138560563
PubChem CID138560563
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name—
SMILESC1CCC1.OOO
InChIInChI=1S/C4H8.H2O3/c1-2-4-3-1;1-3-2/h1-4H2;1-2H
InChIKeyIDBZNKAUKSSXNN-UHFFFAOYSA-N
XLogP1.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 87410844
cyclopentane
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CID 165090184
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CID 66653568

Frequently Asked Questions

What is the IUPAC name of CID 138560563?
The IUPAC name of CID 138560563 (CID 138560563) is not available.
What is the SMILES notation for CID 138560563?
The canonical SMILES for CID 138560563 is C1CCC1.OOO.
What is the InChIKey of CID 138560563?
The InChIKey is IDBZNKAUKSSXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.H2O3/c1-2-4-3-1;1-3-2/h1-4H2;1-2H.
What are the key properties of CID 138560563?
CID 138560563 has a molecular weight of 106.12 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138560563 is sourced from PubChem (CID 138560563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).