(4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane

C9H10O2 — CID 45113843

IUPAC(4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1C#C
InChIInChI=1S/C9H10O2/c1-5-7-8(6-2)11-9(3,4)10-7/h1-2,7-8H,3-4H3/t7-,8-/m1/s1
InChIKeyYALCFYFPLXNAOZ-HTQZYQBOSA-N
MW150.18 g/mol
LogP0.77
Rot. Bonds

About (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 45113843) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane
PubChem CID45113843
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1C#C
InChIInChI=1S/C9H10O2/c1-5-7-8(6-2)11-9(3,4)10-7/h1-2,7-8H,3-4H3/t7-,8-/m1/s1
InChIKeyYALCFYFPLXNAOZ-HTQZYQBOSA-N
XLogP0.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.77
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 (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane (CID 45113843) is (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane is C#C[C@H]1OC(C)(C)O[C@@H]1C#C.
What is the InChIKey of (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is YALCFYFPLXNAOZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H10O2/c1-5-7-8(6-2)11-9(3,4)10-7/h1-2,7-8H,3-4H3/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 150.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 45113843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).