CID 11389679

C9H11O2 — CID 11389679

IUPAC—
SMILESCCOC(=O)[C]1[CH][CH]C[CH][CH]1
InChIInChI=1S/C9H11O2/c1-2-11-9(10)8-6-4-3-5-7-8/h4-7H,2-3H2,1H3
InChIKeyXJQJRPVBUOKYPL-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.34
Rot. Bonds2

About CID 11389679

CID 11389679 (PubChem CID 11389679) has the molecular formula C9H11O2 and a molecular weight of 151.18 g/mol.

Molecular Properties

Compound NameCID 11389679
PubChem CID11389679
Molecular FormulaC9H11O2
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name—
SMILESCCOC(=O)[C]1[CH][CH]C[CH][CH]1
InChIInChI=1S/C9H11O2/c1-2-11-9(10)8-6-4-3-5-7-8/h4-7H,2-3H2,1H3
InChIKeyXJQJRPVBUOKYPL-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11389679?
The IUPAC name of CID 11389679 (CID 11389679) is not available.
What is the SMILES notation for CID 11389679?
The canonical SMILES for CID 11389679 is CCOC(=O)[C]1[CH][CH]C[CH][CH]1.
What is the InChIKey of CID 11389679?
The InChIKey is XJQJRPVBUOKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2/c1-2-11-9(10)8-6-4-3-5-7-8/h4-7H,2-3H2,1H3.
What are the key properties of CID 11389679?
CID 11389679 has a molecular weight of 151.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11389679 is sourced from PubChem (CID 11389679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).