1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane

C17H38O7S — CID 19602185

IUPAC1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane
SMILESC1CCSC1.C1COCO1.COC(C)OC.COCCOCCOC
InChIInChI=1S/C6H14O3.C4H10O2.C4H8S.C3H6O2/c1-7-3-5-9-6-4-8-2;1-4(5-2)6-3;1-2-4-5-3-1;1-2-5-3-4-1/h3-6H2,1-2H3;4H,1-3H3;1-4H2;1-3H2
InChIKeyUVWNXKZBATZUHE-UHFFFAOYSA-N
MW386.55 g/mol
LogP2.43
Rot. Bonds8

About 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane

1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane (PubChem CID 19602185) has the molecular formula C17H38O7S and a molecular weight of 386.55 g/mol. Its IUPAC name is 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane.

Molecular Properties

Compound Name1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane
PubChem CID19602185
Molecular FormulaC17H38O7S
Molecular Weight386.55 g/mol
Exact Mass386.23
IUPAC Name1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane
SMILESC1CCSC1.C1COCO1.COC(C)OC.COCCOCCOC
InChIInChI=1S/C6H14O3.C4H10O2.C4H8S.C3H6O2/c1-7-3-5-9-6-4-8-2;1-4(5-2)6-3;1-2-4-5-3-1;1-2-5-3-4-1/h3-6H2,1-2H3;4H,1-3H3;1-4H2;1-3H2
InChIKeyUVWNXKZBATZUHE-UHFFFAOYSA-N
XLogP2.43
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane?
The IUPAC name of 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane (CID 19602185) is 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane.
What is the SMILES notation for 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane?
The canonical SMILES for 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane is C1CCSC1.C1COCO1.COC(C)OC.COCCOCCOC.
What is the InChIKey of 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane?
The InChIKey is UVWNXKZBATZUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H10O2.C4H8S.C3H6O2/c1-7-3-5-9-6-4-8-2;1-4(5-2)6-3;1-2-4-5-3-1;1-2-5-3-4-1/h3-6H2,1-2H3;4H,1-3H3;1-4H2;1-3H2.
What are the key properties of 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane?
1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane has a molecular weight of 386.55 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane is sourced from PubChem (CID 19602185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).