CID 59269013

C9H12O2 — CID 59269013

IUPAC—
SMILES[CH]CC1COC(C)(C#C)OC1
InChIInChI=1S/C9H12O2/c1-4-8-6-10-9(3,5-2)11-7-8/h1-2,8H,4,6-7H2,3H3
InChIKeyASECUIHTMQWLHF-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.10
Rot. Bonds1

About CID 59269013

CID 59269013 (PubChem CID 59269013) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol.

Molecular Properties

Compound NameCID 59269013
PubChem CID59269013
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name—
SMILES[CH]CC1COC(C)(C#C)OC1
InChIInChI=1S/C9H12O2/c1-4-8-6-10-9(3,5-2)11-7-8/h1-2,8H,4,6-7H2,3H3
InChIKeyASECUIHTMQWLHF-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.10
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 59269013?
The IUPAC name of CID 59269013 (CID 59269013) is not available.
What is the SMILES notation for CID 59269013?
The canonical SMILES for CID 59269013 is [CH]CC1COC(C)(C#C)OC1.
What is the InChIKey of CID 59269013?
The InChIKey is ASECUIHTMQWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-8-6-10-9(3,5-2)11-7-8/h1-2,8H,4,6-7H2,3H3.
What are the key properties of CID 59269013?
CID 59269013 has a molecular weight of 152.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269013 is sourced from PubChem (CID 59269013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).