7,8-dimethyl-5-thiaspiro[3.5]non-7-ene

C10H16S — CID 146167573

IUPAC7,8-dimethyl-5-thiaspiro[3.5]non-7-ene
SMILESCC1=C(C)CC2(CCC2)SC1
InChIInChI=1S/C10H16S/c1-8-6-10(4-3-5-10)11-7-9(8)2/h3-7H2,1-2H3
InChIKeyKCZQRXOOTPZOPX-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.38
Rot. Bonds

About 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene

7,8-dimethyl-5-thiaspiro[3.5]non-7-ene (PubChem CID 146167573) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene.

Molecular Properties

Compound Name7,8-dimethyl-5-thiaspiro[3.5]non-7-ene
PubChem CID146167573
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name7,8-dimethyl-5-thiaspiro[3.5]non-7-ene
SMILESCC1=C(C)CC2(CCC2)SC1
InChIInChI=1S/C10H16S/c1-8-6-10(4-3-5-10)11-7-9(8)2/h3-7H2,1-2H3
InChIKeyKCZQRXOOTPZOPX-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 ≤ 500168.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
5-Isopropenyl-2-methyl-1,3-di(ethylthio)-cyclohex-1-ene
CID 129819438
3,4,5-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988752
1,4-Dimethyl-2-methylsulfanylcyclohexene
CID 20605796
5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 57632410
7,8-Dimethyl-3-thiabicyclo[4.2.0]oct-1(6)-ene
CID 59434754
2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran
CID 59945016
3,4,5-Triethyl-2,3-dihydrothiophene
CID 68197764
6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 89036741
2-Ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene
CID 123173850
1,4,4-Trimethyl-2-methylsulfanylcyclohexene
CID 123488031

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene?
The IUPAC name of 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene (CID 146167573) is 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene.
What is the SMILES notation for 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene?
The canonical SMILES for 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene is CC1=C(C)CC2(CCC2)SC1.
What is the InChIKey of 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene?
The InChIKey is KCZQRXOOTPZOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-8-6-10(4-3-5-10)11-7-9(8)2/h3-7H2,1-2H3.
What are the key properties of 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene?
7,8-dimethyl-5-thiaspiro[3.5]non-7-ene has a molecular weight of 168.31 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 7,8-dimethyl-5-thiaspiro[3.5]non-7-ene is sourced from PubChem (CID 146167573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).