(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol

C14H24O5S2 — CID 10893063

IUPAC(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol
SMILESCO[C@H]1O[C@H]([C@H](O)CC2SCCCS2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H24O5S2/c1-14(2)18-11-10(17-13(16-3)12(11)19-14)8(15)7-9-20-5-4-6-21-9/h8-13,15H,4-7H2,1-3H3/t8-,10-,11+,12+,13+/m1/s1
InChIKeyKBGOWJSIIQZOAQ-WSLQDRLSSA-N
MW336.48 g/mol
LogP1.83
Rot. Bonds4

About (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol

(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol (PubChem CID 10893063) has the molecular formula C14H24O5S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol
PubChem CID10893063
Molecular FormulaC14H24O5S2
Molecular Weight336.48 g/mol
Exact Mass336.11
IUPAC Name(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol
SMILESCO[C@H]1O[C@H]([C@H](O)CC2SCCCS2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H24O5S2/c1-14(2)18-11-10(17-13(16-3)12(11)19-14)8(15)7-9-20-5-4-6-21-9/h8-13,15H,4-7H2,1-3H3/t8-,10-,11+,12+,13+/m1/s1
InChIKeyKBGOWJSIIQZOAQ-WSLQDRLSSA-N
XLogP1.83
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol with MolForge

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Related Compounds

CID 44156914
CID 44156914
CID 44156920
CID 44156920
CID 44592201
CID 44592201
CID 71660297
CID 71660297
CID 392653
CID 392653
CID 496544
CID 496544
CID 14353192
CID 14353192
CID 101684991
CID 101684991
CID 101684992
CID 101684992
CID 134878389
CID 134878389
CID 134931665
CID 134931665
CID 134936373
CID 134936373

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol?
The IUPAC name of (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol (CID 10893063) is (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol.
What is the SMILES notation for (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol?
The canonical SMILES for (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol is CO[C@H]1O[C@H]([C@H](O)CC2SCCCS2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol?
The InChIKey is KBGOWJSIIQZOAQ-WSLQDRLSSA-N. The full InChI is InChI=1S/C14H24O5S2/c1-14(2)18-11-10(17-13(16-3)12(11)19-14)8(15)7-9-20-5-4-6-21-9/h8-13,15H,4-7H2,1-3H3/t8-,10-,11+,12+,13+/m1/s1.
What are the key properties of (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol?
(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol has a molecular weight of 336.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 10893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).