5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C14H22O5 — CID 90781885

IUPAC5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC=C1C(C2CCOC(C)(C)O2)OC2OC(C)(C)OC12
InChIInChI=1S/C14H22O5/c1-8-10(9-6-7-15-13(2,3)17-9)16-12-11(8)18-14(4,5)19-12/h9-12H,1,6-7H2,2-5H3
InChIKeyQHTDSTGTOVONBA-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.96
Rot. Bonds1

About 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 90781885) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID90781885
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC=C1C(C2CCOC(C)(C)O2)OC2OC(C)(C)OC12
InChIInChI=1S/C14H22O5/c1-8-10(9-6-7-15-13(2,3)17-9)16-12-11(8)18-14(4,5)19-12/h9-12H,1,6-7H2,2-5H3
InChIKeyQHTDSTGTOVONBA-UHFFFAOYSA-N
XLogP1.96
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 90781885) is 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is C=C1C(C2CCOC(C)(C)O2)OC2OC(C)(C)OC12.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is QHTDSTGTOVONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-8-10(9-6-7-15-13(2,3)17-9)16-12-11(8)18-14(4,5)19-12/h9-12H,1,6-7H2,2-5H3.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 270.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 90781885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).