(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane

C12H18O3 — CID 135012451

IUPAC(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane
SMILESC#CCC(=C)COC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H18O3/c1-5-6-10(2)7-13-8-11-9-14-12(3,4)15-11/h1,11H,2,6-9H2,3-4H3/t11-/m1/s1
InChIKeySFRHHCBUAFYIFM-LLVKDONJSA-N
MW210.27 g/mol
LogP1.73
Rot. Bonds5

About (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane

(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane (PubChem CID 135012451) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane
PubChem CID135012451
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane
SMILESC#CCC(=C)COC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H18O3/c1-5-6-10(2)7-13-8-11-9-14-12(3,4)15-11/h1,11H,2,6-9H2,3-4H3/t11-/m1/s1
InChIKeySFRHHCBUAFYIFM-LLVKDONJSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane (CID 135012451) is (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane is C#CCC(=C)COC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane?
The InChIKey is SFRHHCBUAFYIFM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-6-10(2)7-13-8-11-9-14-12(3,4)15-11/h1,11H,2,6-9H2,3-4H3/t11-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane?
(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane has a molecular weight of 210.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 135012451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).