4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane

C25H46O4 — CID 155455539

IUPAC4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(C(C)(C)CC2CC(C(C)(C)CC3COC(C(C)(C)C)C3)CO2)O1
InChIInChI=1S/C25H46O4/c1-22(2,3)20-10-17(14-27-20)12-23(4,5)18-11-19(26-15-18)13-24(6,7)21-16-28-25(8,9)29-21/h17-21H,10-16H2,1-9H3
InChIKeyXSOBHTILYPGSSW-UHFFFAOYSA-N
MW410.64 g/mol
LogP5.83
Rot. Bonds6

About 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane

4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 155455539) has the molecular formula C25H46O4 and a molecular weight of 410.64 g/mol. Its IUPAC name is 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID155455539
Molecular FormulaC25H46O4
Molecular Weight410.64 g/mol
Exact Mass410.34
IUPAC Name4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(C(C)(C)CC2CC(C(C)(C)CC3COC(C(C)(C)C)C3)CO2)O1
InChIInChI=1S/C25H46O4/c1-22(2,3)20-10-17(14-27-20)12-23(4,5)18-11-19(26-15-18)13-24(6,7)21-16-28-25(8,9)29-21/h17-21H,10-16H2,1-9H3
InChIKeyXSOBHTILYPGSSW-UHFFFAOYSA-N
XLogP5.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

3-(1-Ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane
CID 19606815
(4R,5R)-2-(15-methylhexadecyl)-5-[(4R)-2-(15-methylhexadecyl)-1,3-dioxolan-4-yl]-4-[(4S)-2-(15-methylhexadecyl)-1,3-dioxolan-4-yl]-1,3-dioxolane
CID 21969859
(4R,5R)-2-(2,4,4-trimethylpentyl)-5-[(4R)-2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]-4-[(4S)-2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]-1,3-dioxolane
CID 22882757
3'-(2,2-dimethylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
CID 57662906
3,11-Diethyl-1,2,9,10-tetramethyl-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane
CID 58711179
4-[1-(2,2-Diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane
CID 58940120
3'-(2-methylpropyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
CID 59333280
2-Ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane
CID 67588767
3'-(2-methylbutyl)spiro[1,3-dioxolane-2,6'-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan]
CID 70645184
4-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
2-Ethyl-4-[5-ethyl-2-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane
CID 70943605
4-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-5,5-dimethyloxolan-3-yl]-2,2-dimethyl-1,3-dioxolane
CID 70943609

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 155455539) is 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(C(C)(C)CC2CC(C(C)(C)CC3COC(C(C)(C)C)C3)CO2)O1.
What is the InChIKey of 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is XSOBHTILYPGSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O4/c1-22(2,3)20-10-17(14-27-20)12-23(4,5)18-11-19(26-15-18)13-24(6,7)21-16-28-25(8,9)29-21/h17-21H,10-16H2,1-9H3.
What are the key properties of 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane?
4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 410.64 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-(5-tert-butyloxolan-3-yl)-2-methylpropan-2-yl]oxolan-2-yl]-2-methylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 155455539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).