CID 59268993

C9H14O3 — CID 59268993

IUPAC—
SMILES[CH]CCC1COC2(COC2)OC1
InChIInChI=1S/C9H14O3/c1-2-3-8-4-11-9(12-5-8)6-10-7-9/h1,8H,2-7H2
InChIKeySXUIJTUBHGVXCH-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.87
Rot. Bonds2

About CID 59268993

CID 59268993 (PubChem CID 59268993) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol.

Molecular Properties

Compound NameCID 59268993
PubChem CID59268993
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name—
SMILES[CH]CCC1COC2(COC2)OC1
InChIInChI=1S/C9H14O3/c1-2-3-8-4-11-9(12-5-8)6-10-7-9/h1,8H,2-7H2
InChIKeySXUIJTUBHGVXCH-UHFFFAOYSA-N
XLogP0.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59268993?
The IUPAC name of CID 59268993 (CID 59268993) is not available.
What is the SMILES notation for CID 59268993?
The canonical SMILES for CID 59268993 is [CH]CCC1COC2(COC2)OC1.
What is the InChIKey of CID 59268993?
The InChIKey is SXUIJTUBHGVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-8-4-11-9(12-5-8)6-10-7-9/h1,8H,2-7H2.
What are the key properties of CID 59268993?
CID 59268993 has a molecular weight of 170.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59268993 is sourced from PubChem (CID 59268993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).