(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane

C16H30O5S2 — CID 10361566

IUPAC(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOC[C@@H](OC)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC1SCCCS1)OC
InChIInChI=1S/C16H30O5S2/c1-16(2)20-14(15(21-16)12(19-5)10-17-3)11(18-4)9-13-22-7-6-8-23-13/h11-15H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1
InChIKeyHINJRBOGFLPJBM-QHSBEEBCSA-N
MW366.55 g/mol
LogP2.77
Rot. Bonds8

About (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10361566) has the molecular formula C16H30O5S2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10361566
Molecular FormulaC16H30O5S2
Molecular Weight366.55 g/mol
Exact Mass366.15
IUPAC Name(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOC[C@@H](OC)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC1SCCCS1)OC
InChIInChI=1S/C16H30O5S2/c1-16(2)20-14(15(21-16)12(19-5)10-17-3)11(18-4)9-13-22-7-6-8-23-13/h11-15H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1
InChIKeyHINJRBOGFLPJBM-QHSBEEBCSA-N
XLogP2.77
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane (CID 10361566) is (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane is COC[C@@H](OC)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC1SCCCS1)OC.
What is the InChIKey of (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is HINJRBOGFLPJBM-QHSBEEBCSA-N. The full InChI is InChI=1S/C16H30O5S2/c1-16(2)20-14(15(21-16)12(19-5)10-17-3)11(18-4)9-13-22-7-6-8-23-13/h11-15H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1.
What are the key properties of (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 366.55 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10361566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).