CID 12660725

C4H9O — CID 12660725

IUPAC—
SMILES[CH2]OCCC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h2-4H2,1H3
InChIKeyDQEZXXJADJEIGC-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.20
Rot. Bonds2

About CID 12660725

CID 12660725 (PubChem CID 12660725) has the molecular formula C4H9O and a molecular weight of 73.11 g/mol.

Molecular Properties

Compound NameCID 12660725
PubChem CID12660725
Molecular FormulaC4H9O
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name—
SMILES[CH2]OCCC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h2-4H2,1H3
InChIKeyDQEZXXJADJEIGC-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 12660725?
The IUPAC name of CID 12660725 (CID 12660725) is not available.
What is the SMILES notation for CID 12660725?
The canonical SMILES for CID 12660725 is [CH2]OCCC.
What is the InChIKey of CID 12660725?
The InChIKey is DQEZXXJADJEIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4-5-2/h2-4H2,1H3.
What are the key properties of CID 12660725?
CID 12660725 has a molecular weight of 73.11 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12660725 is sourced from PubChem (CID 12660725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).