CID 59269313

C9H10O2 — CID 59269313

IUPAC—
SMILES[CH]CC1COC(C#C)(C=C)O1
InChIInChI=1S/C9H10O2/c1-4-8-7-10-9(5-2,6-3)11-8/h1-2,6,8H,3-4,7H2
InChIKeyYPQUZNSVOHUYTR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.02
Rot. Bonds2

About CID 59269313

CID 59269313 (PubChem CID 59269313) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol.

Molecular Properties

Compound NameCID 59269313
PubChem CID59269313
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name—
SMILES[CH]CC1COC(C#C)(C=C)O1
InChIInChI=1S/C9H10O2/c1-4-8-7-10-9(5-2,6-3)11-8/h1-2,6,8H,3-4,7H2
InChIKeyYPQUZNSVOHUYTR-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269313?
The IUPAC name of CID 59269313 (CID 59269313) is not available.
What is the SMILES notation for CID 59269313?
The canonical SMILES for CID 59269313 is [CH]CC1COC(C#C)(C=C)O1.
What is the InChIKey of CID 59269313?
The InChIKey is YPQUZNSVOHUYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-4-8-7-10-9(5-2,6-3)11-8/h1-2,6,8H,3-4,7H2.
What are the key properties of CID 59269313?
CID 59269313 has a molecular weight of 150.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269313 is sourced from PubChem (CID 59269313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).