CID 59269370

C10H16O2 — CID 59269370

IUPAC—
SMILES[CH]CCC1COC(C)(C=C)OC1
InChIInChI=1S/C10H16O2/c1-4-6-9-7-11-10(3,5-2)12-8-9/h1,5,9H,2,4,6-8H2,3H3
InChIKeyMLDJKGPDICKRMR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.04
Rot. Bonds3

About CID 59269370

CID 59269370 (PubChem CID 59269370) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol.

Molecular Properties

Compound NameCID 59269370
PubChem CID59269370
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name—
SMILES[CH]CCC1COC(C)(C=C)OC1
InChIInChI=1S/C10H16O2/c1-4-6-9-7-11-10(3,5-2)12-8-9/h1,5,9H,2,4,6-8H2,3H3
InChIKeyMLDJKGPDICKRMR-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.04
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 59269370?
The IUPAC name of CID 59269370 (CID 59269370) is not available.
What is the SMILES notation for CID 59269370?
The canonical SMILES for CID 59269370 is [CH]CCC1COC(C)(C=C)OC1.
What is the InChIKey of CID 59269370?
The InChIKey is MLDJKGPDICKRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-9-7-11-10(3,5-2)12-8-9/h1,5,9H,2,4,6-8H2,3H3.
What are the key properties of CID 59269370?
CID 59269370 has a molecular weight of 168.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269370 is sourced from PubChem (CID 59269370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).