2-methyl-1-thiaspiro[4.5]dec-6-ene

C10H16S — CID 166865917

IUPAC2-methyl-1-thiaspiro[4.5]dec-6-ene
SMILESCC1CCC2(C=CCCC2)S1
InChIInChI=1S/C10H16S/c1-9-5-8-10(11-9)6-3-2-4-7-10/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyOLSMYDQEHJNWKV-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.38
Rot. Bonds

About 2-methyl-1-thiaspiro[4.5]dec-6-ene

2-methyl-1-thiaspiro[4.5]dec-6-ene (PubChem CID 166865917) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2-methyl-1-thiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name2-methyl-1-thiaspiro[4.5]dec-6-ene
PubChem CID166865917
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2-methyl-1-thiaspiro[4.5]dec-6-ene
SMILESCC1CCC2(C=CCCC2)S1
InChIInChI=1S/C10H16S/c1-9-5-8-10(11-9)6-3-2-4-7-10/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyOLSMYDQEHJNWKV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-1-thiaspiro[4.5]dec-6-ene?
The IUPAC name of 2-methyl-1-thiaspiro[4.5]dec-6-ene (CID 166865917) is 2-methyl-1-thiaspiro[4.5]dec-6-ene.
What is the SMILES notation for 2-methyl-1-thiaspiro[4.5]dec-6-ene?
The canonical SMILES for 2-methyl-1-thiaspiro[4.5]dec-6-ene is CC1CCC2(C=CCCC2)S1.
What is the InChIKey of 2-methyl-1-thiaspiro[4.5]dec-6-ene?
The InChIKey is OLSMYDQEHJNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-9-5-8-10(11-9)6-3-2-4-7-10/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of 2-methyl-1-thiaspiro[4.5]dec-6-ene?
2-methyl-1-thiaspiro[4.5]dec-6-ene has a molecular weight of 168.30 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiaspiro[4.5]dec-6-ene is sourced from PubChem (CID 166865917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).