(Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene

C10H18S — CID 58219046

IUPAC(Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene
SMILESC=C(C/C=C\SC)C(C)(C)C
InChIInChI=1S/C10H18S/c1-9(10(2,3)4)7-6-8-11-5/h6,8H,1,7H2,2-5H3/b8-6-
InChIKeyIKOITIHJZSGLRE-VURMDHGXSA-N
MW170.32 g/mol
LogP3.86
Rot. Bonds3

About (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene

(Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene (PubChem CID 58219046) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name(Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene
PubChem CID58219046
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene
SMILESC=C(C/C=C\SC)C(C)(C)C
InChIInChI=1S/C10H18S/c1-9(10(2,3)4)7-6-8-11-5/h6,8H,1,7H2,2-5H3/b8-6-
InChIKeyIKOITIHJZSGLRE-VURMDHGXSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-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

2-tert-Butylpenta-1,4-diene-1-thione
CID 12522283
2-Tert-butyl-3-methylpenta-1,4-diene-1-thione
CID 12522284
3,3-Dimethyl-1-heptene-4-thiol
CID 15525558
3-(2,2-dimethylpropyl)-3H-dithiole
CID 18474675
3-(3,3-Dimethylbutan-2-ylsulfanyl)-2,4,4-trimethylpent-1-ene
CID 57660034
tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-lambda4-sulfane
CID 58200092
(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
CID 58219028
2-Tert-butyl-2,3-dihydrothiophene
CID 58312073
4,4-Dimethyl-5-methylsulfanylpent-1-ene
CID 85984930
(Z)-5,5-dimethyl-4-methylidenehex-1-ene-1-thiol
CID 88945697
(Z)-6-methyl-1-methylsulfanylhept-1-ene
CID 89045625
2-(3,3-Dimethylpenta-1,4-dien-2-yl)thiirane
CID 89210420

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene?
The IUPAC name of (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene (CID 58219046) is (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene.
What is the SMILES notation for (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene?
The canonical SMILES for (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene is C=C(C/C=C\SC)C(C)(C)C.
What is the InChIKey of (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene?
The InChIKey is IKOITIHJZSGLRE-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18S/c1-9(10(2,3)4)7-6-8-11-5/h6,8H,1,7H2,2-5H3/b8-6-.
What are the key properties of (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene?
(Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene has a molecular weight of 170.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethyl-4-methylidene-1-methylsulfanylhex-1-ene is sourced from PubChem (CID 58219046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).