2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]

C12H18O5 — CID 139663576

IUPAC2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]
SMILESC=C1OC2(COC(C)(C)O2)C2OC(C)(C)OC12
InChIInChI=1S/C12H18O5/c1-7-8-9(16-11(4,5)15-8)12(14-7)6-13-10(2,3)17-12/h8-9H,1,6H2,2-5H3
InChIKeyPQUCVHYLKNUCPF-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.53
Rot. Bonds

About 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]

2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole] (PubChem CID 139663576) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole].

Molecular Properties

Compound Name2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]
PubChem CID139663576
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]
SMILESC=C1OC2(COC(C)(C)O2)C2OC(C)(C)OC12
InChIInChI=1S/C12H18O5/c1-7-8-9(16-11(4,5)15-8)12(14-7)6-13-10(2,3)17-12/h8-9H,1,6H2,2-5H3
InChIKeyPQUCVHYLKNUCPF-UHFFFAOYSA-N
XLogP1.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]?
The IUPAC name of 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole] (CID 139663576) is 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole].
What is the SMILES notation for 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]?
The canonical SMILES for 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole] is C=C1OC2(COC(C)(C)O2)C2OC(C)(C)OC12.
What is the InChIKey of 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]?
The InChIKey is PQUCVHYLKNUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-7-8-9(16-11(4,5)15-8)12(14-7)6-13-10(2,3)17-12/h8-9H,1,6H2,2-5H3.
What are the key properties of 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole]?
2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole] has a molecular weight of 242.27 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2',2'-tetramethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-3a,6a-dihydrofuro[3,4-d][1,3]dioxole] is sourced from PubChem (CID 139663576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).