CID 59269059

C8H12O2 — CID 59269059

IUPAC—
SMILES[CH]CC1COC(C)(C=C)O1
InChIInChI=1S/C8H12O2/c1-4-7-6-9-8(3,5-2)10-7/h1,5,7H,2,4,6H2,3H3
InChIKeyQNSVFDOLTGNUIN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.41
Rot. Bonds2

About CID 59269059

CID 59269059 (PubChem CID 59269059) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol.

Molecular Properties

Compound NameCID 59269059
PubChem CID59269059
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name—
SMILES[CH]CC1COC(C)(C=C)O1
InChIInChI=1S/C8H12O2/c1-4-7-6-9-8(3,5-2)10-7/h1,5,7H,2,4,6H2,3H3
InChIKeyQNSVFDOLTGNUIN-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269059?
The IUPAC name of CID 59269059 (CID 59269059) is not available.
What is the SMILES notation for CID 59269059?
The canonical SMILES for CID 59269059 is [CH]CC1COC(C)(C=C)O1.
What is the InChIKey of CID 59269059?
The InChIKey is QNSVFDOLTGNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-7-6-9-8(3,5-2)10-7/h1,5,7H,2,4,6H2,3H3.
What are the key properties of CID 59269059?
CID 59269059 has a molecular weight of 140.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269059 is sourced from PubChem (CID 59269059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).