CID 101067560

C5H9O — CID 101067560

IUPAC—
SMILESC=C(C)[C](C)O
InChIInChI=1S/C5H9O/c1-4(2)5(3)6/h6H,1H2,2-3H3
InChIKeyADUIOEBEMJEEAZ-UHFFFAOYSA-N
MW85.13 g/mol
LogP1.49
Rot. Bonds1

About CID 101067560

CID 101067560 (PubChem CID 101067560) has the molecular formula C5H9O and a molecular weight of 85.13 g/mol.

Molecular Properties

Compound NameCID 101067560
PubChem CID101067560
Molecular FormulaC5H9O
Molecular Weight85.13 g/mol
Exact Mass85.07
IUPAC Name—
SMILESC=C(C)[C](C)O
InChIInChI=1S/C5H9O/c1-4(2)5(3)6/h6H,1H2,2-3H3
InChIKeyADUIOEBEMJEEAZ-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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manganese;bis(prop-1-en-2-ol);yttrium
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Frequently Asked Questions

What is the IUPAC name of CID 101067560?
The IUPAC name of CID 101067560 (CID 101067560) is not available.
What is the SMILES notation for CID 101067560?
The canonical SMILES for CID 101067560 is C=C(C)[C](C)O.
What is the InChIKey of CID 101067560?
The InChIKey is ADUIOEBEMJEEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O/c1-4(2)5(3)6/h6H,1H2,2-3H3.
What are the key properties of CID 101067560?
CID 101067560 has a molecular weight of 85.13 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101067560 is sourced from PubChem (CID 101067560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).