[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol

C11H18OS2 — CID 10922345

IUPAC[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol
SMILESOCC1[C@@H]2CC[C@@H](C2)C12SCCCS2
InChIInChI=1S/C11H18OS2/c12-7-10-8-2-3-9(6-8)11(10)13-4-1-5-14-11/h8-10,12H,1-7H2/t8-,9+,10?/m1/s1
InChIKeyCSBVCMTYQPUHGL-ZDGBYWQASA-N
MW230.40 g/mol
LogP2.59
Rot. Bonds1

About [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol

[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol (PubChem CID 10922345) has the molecular formula C11H18OS2 and a molecular weight of 230.40 g/mol. Its IUPAC name is [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol.

Molecular Properties

Compound Name[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol
PubChem CID10922345
Molecular FormulaC11H18OS2
Molecular Weight230.40 g/mol
Exact Mass230.08
IUPAC Name[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol
SMILESOCC1[C@@H]2CC[C@@H](C2)C12SCCCS2
InChIInChI=1S/C11H18OS2/c12-7-10-8-2-3-9(6-8)11(10)13-4-1-5-14-11/h8-10,12H,1-7H2/t8-,9+,10?/m1/s1
InChIKeyCSBVCMTYQPUHGL-ZDGBYWQASA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol?
The IUPAC name of [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol (CID 10922345) is [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol.
What is the SMILES notation for [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol?
The canonical SMILES for [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol is OCC1[C@@H]2CC[C@@H](C2)C12SCCCS2.
What is the InChIKey of [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol?
The InChIKey is CSBVCMTYQPUHGL-ZDGBYWQASA-N. The full InChI is InChI=1S/C11H18OS2/c12-7-10-8-2-3-9(6-8)11(10)13-4-1-5-14-11/h8-10,12H,1-7H2/t8-,9+,10?/m1/s1.
What are the key properties of [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol?
[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol has a molecular weight of 230.40 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol is sourced from PubChem (CID 10922345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).