CID 57693377

C7H10O3 — CID 57693377

IUPAC—
SMILESC=C1[C@@H](O[C@@H]([C@@H]1O)CO)[CH]
InChIInChI=1S/C7H10O3/c1-4-5(2)10-6(3-8)7(4)9/h2,5-9H,1,3H2/t5-,6+,7+/m0/s1
InChIKeyHHKKTWANYGRTDC-RRKCRQDMSA-N
MW142.15 g/mol
LogP-0.40
Rot. Bonds1

About CID 57693377

CID 57693377 (PubChem CID 57693377) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol.

Molecular Properties

Compound NameCID 57693377
PubChem CID57693377
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name—
SMILESC=C1[C@@H](O[C@@H]([C@@H]1O)CO)[CH]
InChIInChI=1S/C7H10O3/c1-4-5(2)10-6(3-8)7(4)9/h2,5-9H,1,3H2/t5-,6+,7+/m0/s1
InChIKeyHHKKTWANYGRTDC-RRKCRQDMSA-N
XLogP-0.40
TPSA49.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57693377?
The IUPAC name of CID 57693377 (CID 57693377) is not available.
What is the SMILES notation for CID 57693377?
The canonical SMILES for CID 57693377 is C=C1[C@@H](O[C@@H]([C@@H]1O)CO)[CH].
What is the InChIKey of CID 57693377?
The InChIKey is HHKKTWANYGRTDC-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(2)10-6(3-8)7(4)9/h2,5-9H,1,3H2/t5-,6+,7+/m0/s1.
What are the key properties of CID 57693377?
CID 57693377 has a molecular weight of 142.15 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57693377 is sourced from PubChem (CID 57693377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).