(7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol

C10H16OS2 — CID 3398611

IUPAC(7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol
SMILESCC1=CC2(CCC1CO)SCCS2
InChIInChI=1S/C10H16OS2/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h6,9,11H,2-5,7H2,1H3
InChIKeyIACAFCIJTWHDCF-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.51
Rot. Bonds1

About (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol

(7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol (PubChem CID 3398611) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol.

Molecular Properties

Compound Name(7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol
PubChem CID3398611
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name(7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol
SMILESCC1=CC2(CCC1CO)SCCS2
InChIInChI=1S/C10H16OS2/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h6,9,11H,2-5,7H2,1H3
InChIKeyIACAFCIJTWHDCF-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol?
The IUPAC name of (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol (CID 3398611) is (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol.
What is the SMILES notation for (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol?
The canonical SMILES for (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol is CC1=CC2(CCC1CO)SCCS2.
What is the InChIKey of (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol?
The InChIKey is IACAFCIJTWHDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS2/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h6,9,11H,2-5,7H2,1H3.
What are the key properties of (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol?
(7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol has a molecular weight of 216.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol is sourced from PubChem (CID 3398611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).