CID 59269171

C11H16O2 — CID 59269171

IUPAC—
SMILES[CH]C(CC)C1COC(C)(C#C)OC1
InChIInChI=1S/C11H16O2/c1-5-9(3)10-7-12-11(4,6-2)13-8-10/h2-3,9-10H,5,7-8H2,1,4H3
InChIKeyZKUIIKCQAHDHLU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.74
Rot. Bonds2

About CID 59269171

CID 59269171 (PubChem CID 59269171) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol.

Molecular Properties

Compound NameCID 59269171
PubChem CID59269171
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name—
SMILES[CH]C(CC)C1COC(C)(C#C)OC1
InChIInChI=1S/C11H16O2/c1-5-9(3)10-7-12-11(4,6-2)13-8-10/h2-3,9-10H,5,7-8H2,1,4H3
InChIKeyZKUIIKCQAHDHLU-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Diethoxy-5-methylhex-1-yne
CID 129708079
2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane
CID 11008757
2,2-Dimethyl-5-(2-methylpropyl)-1,3-dioxane
CID 15006025
CID 59269013
CID 59269013
CID 59269025
CID 59269025
CID 59269039
CID 59269039
CID 59269049
CID 59269049
CID 59269089
CID 59269089
CID 59269144
CID 59269144
CID 59269155
CID 59269155
CID 59269194
CID 59269194
CID 59269205
CID 59269205

Frequently Asked Questions

What is the IUPAC name of CID 59269171?
The IUPAC name of CID 59269171 (CID 59269171) is not available.
What is the SMILES notation for CID 59269171?
The canonical SMILES for CID 59269171 is [CH]C(CC)C1COC(C)(C#C)OC1.
What is the InChIKey of CID 59269171?
The InChIKey is ZKUIIKCQAHDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9(3)10-7-12-11(4,6-2)13-8-10/h2-3,9-10H,5,7-8H2,1,4H3.
What are the key properties of CID 59269171?
CID 59269171 has a molecular weight of 180.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269171 is sourced from PubChem (CID 59269171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).