CID 59269021

C9H14O2 — CID 59269021

IUPAC—
SMILES[CH]CC1COC2(CCC2)OC1
InChIInChI=1S/C9H14O2/c1-2-8-6-10-9(11-7-8)4-3-5-9/h1,8H,2-7H2
InChIKeyYDRCATMSARMONR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.63
Rot. Bonds1

About CID 59269021

CID 59269021 (PubChem CID 59269021) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol.

Molecular Properties

Compound NameCID 59269021
PubChem CID59269021
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name—
SMILES[CH]CC1COC2(CCC2)OC1
InChIInChI=1S/C9H14O2/c1-2-8-6-10-9(11-7-8)4-3-5-9/h1,8H,2-7H2
InChIKeyYDRCATMSARMONR-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 59269021 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 59269021?
The IUPAC name of CID 59269021 (CID 59269021) is not available.
What is the SMILES notation for CID 59269021?
The canonical SMILES for CID 59269021 is [CH]CC1COC2(CCC2)OC1.
What is the InChIKey of CID 59269021?
The InChIKey is YDRCATMSARMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-8-6-10-9(11-7-8)4-3-5-9/h1,8H,2-7H2.
What are the key properties of CID 59269021?
CID 59269021 has a molecular weight of 154.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269021 is sourced from PubChem (CID 59269021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).