(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene

C7H12S — CID 142226074

IUPAC(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
SMILESC=C/C=C(\C)CSC
InChIInChI=1S/C7H12S/c1-4-5-7(2)6-8-3/h4-5H,1,6H2,2-3H3/b7-5+
InChIKeyKHDLDZPRIKKQPV-FNORWQNLSA-N
MW128.24 g/mol
LogP2.48
Rot. Bonds3

About (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene

(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene (PubChem CID 142226074) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
PubChem CID142226074
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
SMILESC=C/C=C(\C)CSC
InChIInChI=1S/C7H12S/c1-4-5-7(2)6-8-3/h4-5H,1,6H2,2-3H3/b7-5+
InChIKeyKHDLDZPRIKKQPV-FNORWQNLSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.48
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

2-methyl-3-methylsulfanylprop-1-en-1-amine
CID 142046548
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
4,6-dimethylocta-1,3,6-triene
CID 59970849
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
6-chloro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123985485
CID 173495627
CID 173495627
4-methylnona-1,3-diene
CID 71327710
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
CID 142891665
1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
CID 144835688
(3Z)-4-ethylsulfanylpenta-1,3-diene
CID 143409580

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene?
The IUPAC name of (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene (CID 142226074) is (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene?
The canonical SMILES for (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene is C=C/C=C(\C)CSC.
What is the InChIKey of (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene?
The InChIKey is KHDLDZPRIKKQPV-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12S/c1-4-5-7(2)6-8-3/h4-5H,1,6H2,2-3H3/b7-5+.
What are the key properties of (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene?
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene has a molecular weight of 128.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methyl-5-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 142226074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).