CID 58450260

C9H16O2 — CID 58450260

IUPAC—
SMILES[CH]OCC1(CC)CCOCC1
InChIInChI=1S/C9H16O2/c1-3-9(8-10-2)4-6-11-7-5-9/h2H,3-8H2,1H3
InChIKeyIVBVOFZVHYBWJM-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.88
Rot. Bonds3

About CID 58450260

CID 58450260 (PubChem CID 58450260) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol.

Molecular Properties

Compound NameCID 58450260
PubChem CID58450260
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name—
SMILES[CH]OCC1(CC)CCOCC1
InChIInChI=1S/C9H16O2/c1-3-9(8-10-2)4-6-11-7-5-9/h2H,3-8H2,1H3
InChIKeyIVBVOFZVHYBWJM-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58450260?
The IUPAC name of CID 58450260 (CID 58450260) is not available.
What is the SMILES notation for CID 58450260?
The canonical SMILES for CID 58450260 is [CH]OCC1(CC)CCOCC1.
What is the InChIKey of CID 58450260?
The InChIKey is IVBVOFZVHYBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(8-10-2)4-6-11-7-5-9/h2H,3-8H2,1H3.
What are the key properties of CID 58450260?
CID 58450260 has a molecular weight of 156.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450260 is sourced from PubChem (CID 58450260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).