CID 5475931

C4H9O — CID 5475931

IUPAC—
SMILESC[CH]C(C)O
InChIInChI=1S/C4H9O/c1-3-4(2)5/h3-5H,1-2H3
InChIKeyXFYDXZKCQFGUQB-UHFFFAOYSA-N
MW73.12 g/mol
LogP0.59
Rot. Bonds1

About CID 5475931

CID 5475931 (PubChem CID 5475931) has the molecular formula C4H9O and a molecular weight of 73.12 g/mol.

Molecular Properties

Compound NameCID 5475931
PubChem CID5475931
Molecular FormulaC4H9O
Molecular Weight73.12 g/mol
Exact Mass73.07
IUPAC Name—
SMILESC[CH]C(C)O
InChIInChI=1S/C4H9O/c1-3-4(2)5/h3-5H,1-2H3
InChIKeyXFYDXZKCQFGUQB-UHFFFAOYSA-N
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 5475931?
The IUPAC name of CID 5475931 (CID 5475931) is not available.
What is the SMILES notation for CID 5475931?
The canonical SMILES for CID 5475931 is C[CH]C(C)O.
What is the InChIKey of CID 5475931?
The InChIKey is XFYDXZKCQFGUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4(2)5/h3-5H,1-2H3.
What are the key properties of CID 5475931?
CID 5475931 has a molecular weight of 73.12 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5475931 is sourced from PubChem (CID 5475931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).