2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane

C12H16O2 — CID 11008757

IUPAC2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane
SMILESC#CCC1(CC#C)COC(C)(C)OC1
InChIInChI=1S/C12H16O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h1-2H,7-10H2,3-4H3
InChIKeyXDLIFIDDOJVTCC-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.80
Rot. Bonds2

About 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane

2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane (PubChem CID 11008757) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane
PubChem CID11008757
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane
SMILESC#CCC1(CC#C)COC(C)(C)OC1
InChIInChI=1S/C12H16O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h1-2H,7-10H2,3-4H3
InChIKeyXDLIFIDDOJVTCC-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.80
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

Aerxskaaoxpglg-uhfffaoysa-
CID 15363610
5,5-Bis(but-2-ynyl)-2,2-dimethyl-1,3-dioxane
CID 12971462
2,2,4,5-Tetra-methyl-5-ethyl-1,3-dioxane
CID 129789532
5-Ethyl-5-(1-iodoprop-2-ynoxymethyl)-2,2-dimethyl-1,3-dioxane
CID 20028681
5-(Butoxymethyl)-5-ethyl-2-methyl-2-propyl-1,3-dioxane
CID 23369143
5-Ethyl-5-[iodo(prop-2-ynoxy)methyl]-2,2-dimethyl-1,3-dioxane
CID 53896551
5,5-Diethyl-2,2-dimethyl-1,3-dioxane
CID 57757375
CID 59269171
CID 59269171
2-Ethynyl-2-methyl-5-propan-2-yl-1,3-dioxane
CID 89076529
5-Butan-2-yl-2,2-diethynyl-1,3-dioxane
CID 89076543
5-Butan-2-yl-2-ethynyl-2-methyl-1,3-dioxane
CID 89076546
2-Ethynyl-2-methyl-5-propyl-1,3-dioxane
CID 89076563

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane (CID 11008757) is 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane is C#CCC1(CC#C)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane?
The InChIKey is XDLIFIDDOJVTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h1-2H,7-10H2,3-4H3.
What are the key properties of 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane?
2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane has a molecular weight of 192.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane is sourced from PubChem (CID 11008757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).