CID 59824719

C7H11O3 — CID 59824719

IUPAC—
SMILESOCC1C=C[CH]C(O)C1O
InChIInChI=1S/C7H11O3/c8-4-5-2-1-3-6(9)7(5)10/h1-3,5-10H,4H2
InChIKeyAITWHPCZDIVJKM-UHFFFAOYSA-N
MW143.16 g/mol
LogP-0.91
Rot. Bonds1

About CID 59824719

CID 59824719 (PubChem CID 59824719) has the molecular formula C7H11O3 and a molecular weight of 143.16 g/mol.

Molecular Properties

Compound NameCID 59824719
PubChem CID59824719
Molecular FormulaC7H11O3
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name—
SMILESOCC1C=C[CH]C(O)C1O
InChIInChI=1S/C7H11O3/c8-4-5-2-1-3-6(9)7(5)10/h1-3,5-10H,4H2
InChIKeyAITWHPCZDIVJKM-UHFFFAOYSA-N
XLogP-0.91
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59824719?
The IUPAC name of CID 59824719 (CID 59824719) is not available.
What is the SMILES notation for CID 59824719?
The canonical SMILES for CID 59824719 is OCC1C=C[CH]C(O)C1O.
What is the InChIKey of CID 59824719?
The InChIKey is AITWHPCZDIVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3/c8-4-5-2-1-3-6(9)7(5)10/h1-3,5-10H,4H2.
What are the key properties of CID 59824719?
CID 59824719 has a molecular weight of 143.16 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59824719 is sourced from PubChem (CID 59824719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).