CID 59269207

C8H14O3 — CID 59269207

IUPAC—
SMILES[CH]C(C)C1COC(COC)O1
InChIInChI=1S/C8H14O3/c1-6(2)7-4-10-8(11-7)5-9-3/h1,6-8H,4-5H2,2-3H3
InChIKeyTVKYBYAKBQXKPM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.72
Rot. Bonds3

About CID 59269207

CID 59269207 (PubChem CID 59269207) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol.

Molecular Properties

Compound NameCID 59269207
PubChem CID59269207
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name—
SMILES[CH]C(C)C1COC(COC)O1
InChIInChI=1S/C8H14O3/c1-6(2)7-4-10-8(11-7)5-9-3/h1,6-8H,4-5H2,2-3H3
InChIKeyTVKYBYAKBQXKPM-UHFFFAOYSA-N
XLogP0.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59269207?
The IUPAC name of CID 59269207 (CID 59269207) is not available.
What is the SMILES notation for CID 59269207?
The canonical SMILES for CID 59269207 is [CH]C(C)C1COC(COC)O1.
What is the InChIKey of CID 59269207?
The InChIKey is TVKYBYAKBQXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)7-4-10-8(11-7)5-9-3/h1,6-8H,4-5H2,2-3H3.
What are the key properties of CID 59269207?
CID 59269207 has a molecular weight of 158.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269207 is sourced from PubChem (CID 59269207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).