CID 76549260

C5H9O — CID 76549260

IUPAC—
SMILESC=C[C](C)CO
InChIInChI=1S/C5H9O/c1-3-5(2)4-6/h3,6H,1,4H2,2H3
InChIKeyCLGHLEUXPPGIBO-UHFFFAOYSA-N
MW85.13 g/mol
LogP0.76
Rot. Bonds2

About CID 76549260

CID 76549260 (PubChem CID 76549260) has the molecular formula C5H9O and a molecular weight of 85.13 g/mol.

Molecular Properties

Compound NameCID 76549260
PubChem CID76549260
Molecular FormulaC5H9O
Molecular Weight85.13 g/mol
Exact Mass85.07
IUPAC Name—
SMILESC=C[C](C)CO
InChIInChI=1S/C5H9O/c1-3-5(2)4-6/h3,6H,1,4H2,2H3
InChIKeyCLGHLEUXPPGIBO-UHFFFAOYSA-N
XLogP0.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 76549260?
The IUPAC name of CID 76549260 (CID 76549260) is not available.
What is the SMILES notation for CID 76549260?
The canonical SMILES for CID 76549260 is C=C[C](C)CO.
What is the InChIKey of CID 76549260?
The InChIKey is CLGHLEUXPPGIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O/c1-3-5(2)4-6/h3,6H,1,4H2,2H3.
What are the key properties of CID 76549260?
CID 76549260 has a molecular weight of 85.13 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 76549260 is sourced from PubChem (CID 76549260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).