CID 57419513

C5H9O2 — CID 57419513

IUPAC—
SMILESCC(C)(C)O[C]=O
InChIInChI=1S/C5H9O2/c1-5(2,3)7-4-6/h1-3H3
InChIKeyNBKZGRPRTQELKX-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.87
Rot. Bonds1

About CID 57419513

CID 57419513 (PubChem CID 57419513) has the molecular formula C5H9O2 and a molecular weight of 101.12 g/mol.

Molecular Properties

Compound NameCID 57419513
PubChem CID57419513
Molecular FormulaC5H9O2
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name—
SMILESCC(C)(C)O[C]=O
InChIInChI=1S/C5H9O2/c1-5(2,3)7-4-6/h1-3H3
InChIKeyNBKZGRPRTQELKX-UHFFFAOYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57419513?
The IUPAC name of CID 57419513 (CID 57419513) is not available.
What is the SMILES notation for CID 57419513?
The canonical SMILES for CID 57419513 is CC(C)(C)O[C]=O.
What is the InChIKey of CID 57419513?
The InChIKey is NBKZGRPRTQELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2/c1-5(2,3)7-4-6/h1-3H3.
What are the key properties of CID 57419513?
CID 57419513 has a molecular weight of 101.12 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57419513 is sourced from PubChem (CID 57419513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).