CID 59269639

C10H10O2 — CID 59269639

IUPAC—
SMILES[CH]CC1COC(C#C)(C#C)OC1
InChIInChI=1S/C10H10O2/c1-4-9-7-11-10(5-2,6-3)12-8-9/h1-3,9H,4,7-8H2
InChIKeyIDETXEAUGLNNJI-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.71
Rot. Bonds1

About CID 59269639

CID 59269639 (PubChem CID 59269639) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol.

Molecular Properties

Compound NameCID 59269639
PubChem CID59269639
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name—
SMILES[CH]CC1COC(C#C)(C#C)OC1
InChIInChI=1S/C10H10O2/c1-4-9-7-11-10(5-2,6-3)12-8-9/h1-3,9H,4,7-8H2
InChIKeyIDETXEAUGLNNJI-UHFFFAOYSA-N
XLogP0.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269639?
The IUPAC name of CID 59269639 (CID 59269639) is not available.
What is the SMILES notation for CID 59269639?
The canonical SMILES for CID 59269639 is [CH]CC1COC(C#C)(C#C)OC1.
What is the InChIKey of CID 59269639?
The InChIKey is IDETXEAUGLNNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-4-9-7-11-10(5-2,6-3)12-8-9/h1-3,9H,4,7-8H2.
What are the key properties of CID 59269639?
CID 59269639 has a molecular weight of 162.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269639 is sourced from PubChem (CID 59269639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).