CID 100937332

C7H12O- — CID 100937332

IUPAC—
SMILESC[C]([O-])C1CC1(C)C
InChIInChI=1S/C7H12O/c1-5(8)6-4-7(6,2)3/h6H,4H2,1-3H3/q-1
InChIKeyLXYHOVYNBCNCCT-UHFFFAOYSA-N
MW112.17 g/mol
LogP0.94
Rot. Bonds1

About CID 100937332

CID 100937332 (PubChem CID 100937332) has the molecular formula C7H12O- and a molecular weight of 112.17 g/mol.

Molecular Properties

Compound NameCID 100937332
PubChem CID100937332
Molecular FormulaC7H12O-
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name—
SMILESC[C]([O-])C1CC1(C)C
InChIInChI=1S/C7H12O/c1-5(8)6-4-7(6,2)3/h6H,4H2,1-3H3/q-1
InChIKeyLXYHOVYNBCNCCT-UHFFFAOYSA-N
XLogP0.94
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 100937332 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 100937332?
The IUPAC name of CID 100937332 (CID 100937332) is not available.
What is the SMILES notation for CID 100937332?
The canonical SMILES for CID 100937332 is C[C]([O-])C1CC1(C)C.
What is the InChIKey of CID 100937332?
The InChIKey is LXYHOVYNBCNCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5(8)6-4-7(6,2)3/h6H,4H2,1-3H3/q-1.
What are the key properties of CID 100937332?
CID 100937332 has a molecular weight of 112.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100937332 is sourced from PubChem (CID 100937332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).