CID 12660729

C4H9O — CID 12660729

IUPAC—
SMILESC[CH]OCC
InChIInChI=1S/C4H9O/c1-3-5-4-2/h3H,4H2,1-2H3
InChIKeyVWKXBZWBZZMRGZ-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.20
Rot. Bonds2

About CID 12660729

CID 12660729 (PubChem CID 12660729) has the molecular formula C4H9O and a molecular weight of 73.11 g/mol.

Molecular Properties

Compound NameCID 12660729
PubChem CID12660729
Molecular FormulaC4H9O
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name—
SMILESC[CH]OCC
InChIInChI=1S/C4H9O/c1-3-5-4-2/h3H,4H2,1-2H3
InChIKeyVWKXBZWBZZMRGZ-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 12660729?
The IUPAC name of CID 12660729 (CID 12660729) is not available.
What is the SMILES notation for CID 12660729?
The canonical SMILES for CID 12660729 is C[CH]OCC.
What is the InChIKey of CID 12660729?
The InChIKey is VWKXBZWBZZMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-5-4-2/h3H,4H2,1-2H3.
What are the key properties of CID 12660729?
CID 12660729 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 12660729 is sourced from PubChem (CID 12660729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).