2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane

C11H22O4 — CID 59660808

IUPAC2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
SMILESCC(C)OCCOCC1COC(C)(C)O1
InChIInChI=1S/C11H22O4/c1-9(2)13-6-5-12-7-10-8-14-11(3,4)15-10/h9-10H,5-8H2,1-4H3
InChIKeyWHYSOAPLKUODSB-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.58
Rot. Bonds6

About 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane

2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane (PubChem CID 59660808) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
PubChem CID59660808
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
SMILESCC(C)OCCOCC1COC(C)(C)O1
InChIInChI=1S/C11H22O4/c1-9(2)13-6-5-12-7-10-8-14-11(3,4)15-10/h9-10H,5-8H2,1-4H3
InChIKeyWHYSOAPLKUODSB-UHFFFAOYSA-N
XLogP1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 66952472
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
CID 91584937
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane
CID 143920166
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
CID 163831813
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane (CID 59660808) is 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane is CC(C)OCCOCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane?
The InChIKey is WHYSOAPLKUODSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-9(2)13-6-5-12-7-10-8-14-11(3,4)15-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane?
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane has a molecular weight of 218.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 59660808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).