8-benzyl-1,7,4-dioxathiecan-9-ol

C14H20O3S — CID 91290510

IUPAC8-benzyl-1,7,4-dioxathiecan-9-ol
SMILESOC1COCCSCCOC1Cc1ccccc1
InChIInChI=1S/C14H20O3S/c15-13-11-16-6-8-18-9-7-17-14(13)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2
InChIKeyRCCBOQXGQYZLCE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.74
Rot. Bonds2

About 8-benzyl-1,7,4-dioxathiecan-9-ol

8-benzyl-1,7,4-dioxathiecan-9-ol (PubChem CID 91290510) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 8-benzyl-1,7,4-dioxathiecan-9-ol.

Molecular Properties

Compound Name8-benzyl-1,7,4-dioxathiecan-9-ol
PubChem CID91290510
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name8-benzyl-1,7,4-dioxathiecan-9-ol
SMILESOC1COCCSCCOC1Cc1ccccc1
InChIInChI=1S/C14H20O3S/c15-13-11-16-6-8-18-9-7-17-14(13)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2
InChIKeyRCCBOQXGQYZLCE-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyloxolan-3-ol
CID 14785279
8-benzyl-1,4-dioxa-7,10-dithiacyclododecane
CID 71445141
2-benzyl-1,4-dioxane
CID 12910406
(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
CID 45277508
(2-benzyloxolan-3-yl)methanamine
CID 79368410
2-benzyloxolane-3-carbonitrile
CID 79368490
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
(2-benzyloxan-3-yl)methanamine
CID 79367759
2-benzylmorpholine-3-carboxamide
CID 174842413
1-(2-benzyloxolan-3-yl)-N-methylmethanamine
CID 79368511
3-benzyloxan-4-one
CID 58654175
2-benzyl-1,5,3-dioxazepane
CID 142764649

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1,7,4-dioxathiecan-9-ol?
The IUPAC name of 8-benzyl-1,7,4-dioxathiecan-9-ol (CID 91290510) is 8-benzyl-1,7,4-dioxathiecan-9-ol.
What is the SMILES notation for 8-benzyl-1,7,4-dioxathiecan-9-ol?
The canonical SMILES for 8-benzyl-1,7,4-dioxathiecan-9-ol is OC1COCCSCCOC1Cc1ccccc1.
What is the InChIKey of 8-benzyl-1,7,4-dioxathiecan-9-ol?
The InChIKey is RCCBOQXGQYZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c15-13-11-16-6-8-18-9-7-17-14(13)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2.
What are the key properties of 8-benzyl-1,7,4-dioxathiecan-9-ol?
8-benzyl-1,7,4-dioxathiecan-9-ol has a molecular weight of 268.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1,7,4-dioxathiecan-9-ol is sourced from PubChem (CID 91290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).