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

C9H16S — CID 143080531

IUPAC(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
SMILESC/C=C/C(=C\SC)C(C)C
InChIInChI=1S/C9H16S/c1-5-6-9(7-10-4)8(2)3/h5-8H,1-4H3/b6-5+,9-7+
InChIKeyPCEKRJASLBWTAT-SBIWHPGTSA-N
MW156.29 g/mol
LogP3.47
Rot. Bonds3

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

(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene (PubChem CID 143080531) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene.

Molecular Properties

Compound Name(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
PubChem CID143080531
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
SMILESC/C=C/C(=C\SC)C(C)C
InChIInChI=1S/C9H16S/c1-5-6-9(7-10-4)8(2)3/h5-8H,1-4H3/b6-5+,9-7+
InChIKeyPCEKRJASLBWTAT-SBIWHPGTSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-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

(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 166999034
(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine
CID 155407635
(2Z,4E)-4-(1-methylsulfanylethyl)hepta-2,4-diene
CID 130428139
2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine
CID 138722170
1-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]-1-pyridin-4-ylhydrazine
CID 154991943
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine
CID 170210822
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
(Z)-5-ethyl-4-ethylidenehept-2-ene
CID 58547926
(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene
CID 143682674
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
The IUPAC name of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene (CID 143080531) is (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene.
What is the SMILES notation for (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
The canonical SMILES for (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene is C/C=C/C(=C\SC)C(C)C.
What is the InChIKey of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
The InChIKey is PCEKRJASLBWTAT-SBIWHPGTSA-N. The full InChI is InChI=1S/C9H16S/c1-5-6-9(7-10-4)8(2)3/h5-8H,1-4H3/b6-5+,9-7+.
What are the key properties of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene has a molecular weight of 156.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene is sourced from PubChem (CID 143080531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).