2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane

C71H134O13 — CID 161078353

About 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane

2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane (PubChem CID 161078353) has the molecular formula C71H134O13 and a molecular weight of 1195.84 g/mol. Its IUPAC name is 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane.

Molecular Properties

• Compound Name: 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane
• PubChem CID: 161078353
• Molecular Formula: C71H134O13
• Molecular Weight: 1195.84 g/mol
• Exact Mass: 1194.98
• IUPAC Name: 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane
• SMILES: CC(C)CCC1COC(C)(C)O1.CC(C)CCC1COC2(CCCC2)O1.CC(C)CCC1COC2(CCCCC2)O1.CC(C)CCC1COC2(CCOCC2)O1.CC(C)CCCC1COC2(CCC2)O1.CCC1(CC)OCC(CCC(C)C)O1
• InChI: InChI=1S/C13H24O2.C12H22O3.2C12H22O2.C12H24O2.C10H20O2/c1-11(2)6-7-12-10-14-13(15-12)8-4-3-5-9-13;1-10(2)3-4-11-9-14-12(15-11)5-7-13-8-6-12;1-10(2)5-3-6-11-9-13-12(14-11)7-4-8-12;1-10(2)5-6-11-9-13-12(14-11)7-3-4-8-12;1-5-12(6-2)13-9-11(14-12)8-7-10(3)4;1-8(2)5-6-9-7-11-10(3,4)12-9/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;2*10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3
• InChIKey: UFOSEYHVTOLDNJ-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1195.84
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane?

The IUPAC name of 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane (CID 161078353) is 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane.

What is the SMILES notation for 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane?

The canonical SMILES for 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane is CC(C)CCC1COC(C)(C)O1.CC(C)CCC1COC2(CCCC2)O1.CC(C)CCC1COC2(CCCCC2)O1.CC(C)CCC1COC2(CCOCC2)O1.CC(C)CCCC1COC2(CCC2)O1.CCC1(CC)OCC(CCC(C)C)O1.

What is the InChIKey of 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane?

The InChIKey is UFOSEYHVTOLDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C12H22O3.2C12H22O2.C12H24O2.C10H20O2/c1-11(2)6-7-12-10-14-13(15-12)8-4-3-5-9-13;1-10(2)3-4-11-9-14-12(15-11)5-7-13-8-6-12;1-10(2)5-3-6-11-9-13-12(14-11)7-4-8-12;1-10(2)5-6-11-9-13-12(14-11)7-3-4-8-12;1-5-12(6-2)13-9-11(14-12)8-7-10(3)4;1-8(2)5-6-9-7-11-10(3,4)12-9/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;2*10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3.

What are the key properties of 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane?

2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane has a molecular weight of 1195.84 g/mol, XLogP of 17.99, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane is sourced from PubChem (CID 161078353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).