(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane

C12H22S — CID 129167681

IUPAC(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane
SMILESC=C(CCC)/C(=C\SC)C(C)(C)C
InChIInChI=1S/C12H22S/c1-7-8-10(2)11(9-13-6)12(3,4)5/h9H,2,7-8H2,1,3-6H3/b11-9+
InChIKeyFGUHGFLSWIQVDR-PKNBQFBNSA-N
MW198.37 g/mol
LogP4.64
Rot. Bonds4

About (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane

(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane (PubChem CID 129167681) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane.

Molecular Properties

Compound Name(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane
PubChem CID129167681
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane
SMILESC=C(CCC)/C(=C\SC)C(C)(C)C
InChIInChI=1S/C12H22S/c1-7-8-10(2)11(9-13-6)12(3,4)5/h9H,2,7-8H2,1,3-6H3/b11-9+
InChIKeyFGUHGFLSWIQVDR-PKNBQFBNSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

t-Butyl-neopentyl-dithiol-thione
CID 129819129
2-Ethyl-2-methyl-6-methylidenenonane-1-thiol
CID 89062066
1-Chloro-2,6,6-trimethyl-3-methylidene-1-methylsulfanylhept-1-ene
CID 123522189
(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
CID 126513851
1-(2,2-Dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane
CID 126513868
2,2-Dimethyl-5-methylideneoctane-3-thiol
CID 126513944
7-(2,2-Dimethylpropylsulfanyl)-2,2-dimethyl-5-methylideneheptane-3-thiol
CID 126549386
(3Z)-2,2,9,9-tetramethyl-4-methylidene-3-(methylsulfanylmethylidene)decane
CID 126549568
6-Ethyl-3-methylidene-6-propylnonane-1-thiol
CID 132026463
(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene
CID 134456908
(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene
CID 135270268
4,4,7,7-Tetramethyl-5-methylideneoctane-2-thiol
CID 138690112

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane?
The IUPAC name of (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane (CID 129167681) is (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane.
What is the SMILES notation for (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane?
The canonical SMILES for (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane is C=C(CCC)/C(=C\SC)C(C)(C)C.
What is the InChIKey of (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane?
The InChIKey is FGUHGFLSWIQVDR-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22S/c1-7-8-10(2)11(9-13-6)12(3,4)5/h9H,2,7-8H2,1,3-6H3/b11-9+.
What are the key properties of (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane?
(3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane has a molecular weight of 198.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-dimethyl-4-methylidene-3-(methylsulfanylmethylidene)heptane is sourced from PubChem (CID 129167681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).