CID 178043401

C9H15KO — CID 178043401

IUPAC—
SMILESCC(C)C12COC[C-](C1)C2.[K+]
InChIInChI=1S/C9H15O.K/c1-7(2)9-3-8(4-9)5-10-6-9;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyYBZFRWQUKHNPCC-UHFFFAOYSA-N
MW178.32 g/mol
LogP-0.97
Rot. Bonds1

About CID 178043401

CID 178043401 (PubChem CID 178043401) has the molecular formula C9H15KO and a molecular weight of 178.32 g/mol.

Molecular Properties

Compound NameCID 178043401
PubChem CID178043401
Molecular FormulaC9H15KO
Molecular Weight178.32 g/mol
Exact Mass178.08
IUPAC Name—
SMILESCC(C)C12COC[C-](C1)C2.[K+]
InChIInChI=1S/C9H15O.K/c1-7(2)9-3-8(4-9)5-10-6-9;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyYBZFRWQUKHNPCC-UHFFFAOYSA-N
XLogP-0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 178043401?
The IUPAC name of CID 178043401 (CID 178043401) is not available.
What is the SMILES notation for CID 178043401?
The canonical SMILES for CID 178043401 is CC(C)C12COC[C-](C1)C2.[K+].
What is the InChIKey of CID 178043401?
The InChIKey is YBZFRWQUKHNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O.K/c1-7(2)9-3-8(4-9)5-10-6-9;/h7H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of CID 178043401?
CID 178043401 has a molecular weight of 178.32 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178043401 is sourced from PubChem (CID 178043401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).