2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C11H19O3+ — CID 90830848

IUPAC2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC[C+](C)CC1OCC2OC(C)(C)OC12
InChIInChI=1S/C11H19O3/c1-7(2)5-8-10-9(6-12-8)13-11(3,4)14-10/h8-10H,5-6H2,1-4H3/q+1
InChIKeyQLLCCJPVEGUMOC-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.91
Rot. Bonds2

About 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 90830848) has the molecular formula C11H19O3+ and a molecular weight of 199.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID90830848
Molecular FormulaC11H19O3+
Molecular Weight199.27 g/mol
Exact Mass199.13
IUPAC Name2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC[C+](C)CC1OCC2OC(C)(C)OC12
InChIInChI=1S/C11H19O3/c1-7(2)5-8-10-9(6-12-8)13-11(3,4)14-10/h8-10H,5-6H2,1-4H3/q+1
InChIKeyQLLCCJPVEGUMOC-UHFFFAOYSA-N
XLogP1.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Related Compounds

[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane
CID 143329175
(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methylimino-iminoazanium
CID 6332686
(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134854494
(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 7577064
4-[(4-chloro-2-methylphenyl)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 155706303
(1R)-1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 12039524
(3aR,4S,6aR)-4-(benzenesulfonylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 101180794
(3aS,4R)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 130231338
2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 59119744
(4S)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 89495539
N-[[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 14055190
2-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11265049

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 90830848) is 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is C[C+](C)CC1OCC2OC(C)(C)OC12.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is QLLCCJPVEGUMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O3/c1-7(2)5-8-10-9(6-12-8)13-11(3,4)14-10/h8-10H,5-6H2,1-4H3/q+1.
What are the key properties of 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 199.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 90830848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).