(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene

C10H18S — CID 166999034

IUPAC(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene
SMILESC/C=C\C(=C/SC)C(C)(C)C
InChIInChI=1S/C10H18S/c1-6-7-9(8-11-5)10(2,3)4/h6-8H,1-5H3/b7-6-,9-8+
InChIKeyRAJCDNNHZQBJRP-NMMTYZSQSA-N
MW170.32 g/mol
LogP3.86
Rot. Bonds2

About (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene

(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene (PubChem CID 166999034) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene.

Molecular Properties

Compound Name(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene
PubChem CID166999034
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene
SMILESC/C=C\C(=C/SC)C(C)(C)C
InChIInChI=1S/C10H18S/c1-6-7-9(8-11-5)10(2,3)4/h6-8H,1-5H3/b7-6-,9-8+
InChIKeyRAJCDNNHZQBJRP-NMMTYZSQSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 143080531
(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene
CID 100972382
(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
CID 126513851
(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine
CID 129252767
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine
CID 167182965
1,1,2-tris(methylsulfanyl)ethene
CID 597145
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
CID 163785608
(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
CID 134354782

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene?
The IUPAC name of (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene (CID 166999034) is (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene.
What is the SMILES notation for (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene?
The canonical SMILES for (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene is C/C=C\C(=C/SC)C(C)(C)C.
What is the InChIKey of (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene?
The InChIKey is RAJCDNNHZQBJRP-NMMTYZSQSA-N. The full InChI is InChI=1S/C10H18S/c1-6-7-9(8-11-5)10(2,3)4/h6-8H,1-5H3/b7-6-,9-8+.
What are the key properties of (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene?
(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene has a molecular weight of 170.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene is sourced from PubChem (CID 166999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).