CID 59269194

C12H20O2 — CID 59269194

IUPAC—
SMILES[CH]C(CC)C1COC2(CCCC2)OC1
InChIInChI=1S/C12H20O2/c1-3-10(2)11-8-13-12(14-9-11)6-4-5-7-12/h2,10-11H,3-9H2,1H3
InChIKeyWMXOKSLFLSXAQW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.66
Rot. Bonds2

About CID 59269194

CID 59269194 (PubChem CID 59269194) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol.

Molecular Properties

Compound NameCID 59269194
PubChem CID59269194
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name—
SMILES[CH]C(CC)C1COC2(CCCC2)OC1
InChIInChI=1S/C12H20O2/c1-3-10(2)11-8-13-12(14-9-11)6-4-5-7-12/h2,10-11H,3-9H2,1H3
InChIKeyWMXOKSLFLSXAQW-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59269194?
The IUPAC name of CID 59269194 (CID 59269194) is not available.
What is the SMILES notation for CID 59269194?
The canonical SMILES for CID 59269194 is [CH]C(CC)C1COC2(CCCC2)OC1.
What is the InChIKey of CID 59269194?
The InChIKey is WMXOKSLFLSXAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10(2)11-8-13-12(14-9-11)6-4-5-7-12/h2,10-11H,3-9H2,1H3.
What are the key properties of CID 59269194?
CID 59269194 has a molecular weight of 196.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269194 is sourced from PubChem (CID 59269194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).