(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane

C9H18O4 — CID 57158294

IUPAC(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOCCOC[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H18O4/c1-9(2)12-7-8(13-9)6-11-5-4-10-3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyCSQYCGUUGAHEGR-QMMMGPOBSA-N
MW190.24 g/mol
LogP0.80
Rot. Bonds5

About (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane

(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 57158294) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID57158294
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOCCOC[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H18O4/c1-9(2)12-7-8(13-9)6-11-5-4-10-3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyCSQYCGUUGAHEGR-QMMMGPOBSA-N
XLogP0.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.80
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

4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
CID 91584937
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
(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
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 91593989
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 57158294) is (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane is COCCOC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is CSQYCGUUGAHEGR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(2)12-7-8(13-9)6-11-5-4-10-3/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 190.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 57158294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).