8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane

C10H20O3S2 — CID 15186321

IUPAC8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane
SMILESCOCC1CSCCOCCOCCS1
InChIInChI=1S/C10H20O3S2/c1-11-8-10-9-14-6-4-12-2-3-13-5-7-15-10/h10H,2-9H2,1H3
InChIKeyRHGIRCKYOSTWBX-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.51
Rot. Bonds2

About 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane

8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane (PubChem CID 15186321) has the molecular formula C10H20O3S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane.

Molecular Properties

Compound Name8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane
PubChem CID15186321
Molecular FormulaC10H20O3S2
Molecular Weight252.40 g/mol
Exact Mass252.09
IUPAC Name8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane
SMILESCOCC1CSCCOCCOCCS1
InChIInChI=1S/C10H20O3S2/c1-11-8-10-9-14-6-4-12-2-3-13-5-7-15-10/h10H,2-9H2,1H3
InChIKeyRHGIRCKYOSTWBX-UHFFFAOYSA-N
XLogP1.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)thiirane
CID 29837
8-benzyl-1,4-dioxa-7,10-dithiacyclododecane
CID 71445141
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
1,4-dioxa-7,10-dithiacyclododecane-8-carbonitrile
CID 57426060
8-octyl-1,4,10-trioxa-7,13-dithiacyclopentadecane
CID 12811626
1,4-oxathiane
CID 157277006
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
3-tetradecyl-1,7-dioxa-4,10-dithiacyclododecane
CID 12811616
1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708
Borane 1,4-thioxane
CID 11137144
1,4-dithian-2-ylmethyl 2,2-dimethylbutanoate
CID 59848059

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane?
The IUPAC name of 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane (CID 15186321) is 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane.
What is the SMILES notation for 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane?
The canonical SMILES for 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane is COCC1CSCCOCCOCCS1.
What is the InChIKey of 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane?
The InChIKey is RHGIRCKYOSTWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S2/c1-11-8-10-9-14-6-4-12-2-3-13-5-7-15-10/h10H,2-9H2,1H3.
What are the key properties of 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane?
8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane has a molecular weight of 252.40 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane is sourced from PubChem (CID 15186321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).