(4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane

C7H10O3 — CID 11332524

IUPAC(4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane
SMILESCC#C[C@@H]1COC(OC)O1
InChIInChI=1S/C7H10O3/c1-3-4-6-5-9-7(8-2)10-6/h6-7H,5H2,1-2H3/t6-,7?/m1/s1
InChIKeyLXMJQPFYZHOGBQ-ULUSZKPHSA-N
MW142.15 g/mol
LogP0.36
Rot. Bonds1

About (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane

(4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane (PubChem CID 11332524) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane
PubChem CID11332524
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane
SMILESCC#C[C@@H]1COC(OC)O1
InChIInChI=1S/C7H10O3/c1-3-4-6-5-9-7(8-2)10-6/h6-7H,5H2,1-2H3/t6-,7?/m1/s1
InChIKeyLXMJQPFYZHOGBQ-ULUSZKPHSA-N
XLogP0.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2-methoxy-4-methyl-1,3-dioxane
CID 13356634
2-methoxy-1,3,5-trioxane
CID 174269778
2,5-dimethoxy-1,4-dioxane
CID 12500492
[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-prop-1-ynyloxan-2-yl]methyl acetate
CID 102428602
2-(3,3-dimethylbut-1-ynyl)oxirane
CID 118333404
tert-butyl 2-(5-formyl-2-methoxy-1,3-dioxan-4-yl)acetate
CID 142709377
2-methoxy-4-[[[(3Z)-penta-1,3-dien-2-yl]disulfanyl]methyl]-1,3-dioxolane
CID 142531789
N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide
CID 146656254
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
CID 11335702

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane?
The IUPAC name of (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane (CID 11332524) is (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane.
What is the SMILES notation for (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane?
The canonical SMILES for (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane is CC#C[C@@H]1COC(OC)O1.
What is the InChIKey of (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane?
The InChIKey is LXMJQPFYZHOGBQ-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-6-5-9-7(8-2)10-6/h6-7H,5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane?
(4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane has a molecular weight of 142.15 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methoxy-4-prop-1-ynyl-1,3-dioxolane is sourced from PubChem (CID 11332524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).