CID 101002336

C5H9O — CID 101002336

IUPAC—
SMILES[O]C1CCCC1
InChIInChI=1S/C5H9O/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKeyRGCRXROOKZJELI-UHFFFAOYSA-N
MW85.13 g/mol
LogP1.36
Rot. Bonds

About CID 101002336

CID 101002336 (PubChem CID 101002336) has the molecular formula C5H9O and a molecular weight of 85.13 g/mol.

Molecular Properties

Compound NameCID 101002336
PubChem CID101002336
Molecular FormulaC5H9O
Molecular Weight85.13 g/mol
Exact Mass85.07
IUPAC Name—
SMILES[O]C1CCCC1
InChIInChI=1S/C5H9O/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKeyRGCRXROOKZJELI-UHFFFAOYSA-N
XLogP1.36
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101002336?
The IUPAC name of CID 101002336 (CID 101002336) is not available.
What is the SMILES notation for CID 101002336?
The canonical SMILES for CID 101002336 is [O]C1CCCC1.
What is the InChIKey of CID 101002336?
The InChIKey is RGCRXROOKZJELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O/c6-5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of CID 101002336?
CID 101002336 has a molecular weight of 85.13 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101002336 is sourced from PubChem (CID 101002336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).