(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene

C10H18S — CID 142132194

IUPAC(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene
SMILESCC/C(C)=C\C(SC)=C(C)C
InChIInChI=1S/C10H18S/c1-6-9(4)7-10(11-5)8(2)3/h7H,6H2,1-5H3/b9-7-
InChIKeySNEJUNGCUUNNRM-CLFYSBASSA-N
MW170.32 g/mol
LogP4.00
Rot. Bonds3

About (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene

(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene (PubChem CID 142132194) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene.

Molecular Properties

Compound Name(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene
PubChem CID142132194
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene
SMILESCC/C(C)=C\C(SC)=C(C)C
InChIInChI=1S/C10H18S/c1-6-9(4)7-10(11-5)8(2)3/h7H,6H2,1-5H3/b9-7-
InChIKeySNEJUNGCUUNNRM-CLFYSBASSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene?
The IUPAC name of (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene (CID 142132194) is (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene.
What is the SMILES notation for (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene?
The canonical SMILES for (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene is CC/C(C)=C\C(SC)=C(C)C.
What is the InChIKey of (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene?
The InChIKey is SNEJUNGCUUNNRM-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18S/c1-6-9(4)7-10(11-5)8(2)3/h7H,6H2,1-5H3/b9-7-.
What are the key properties of (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene?
(4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene has a molecular weight of 170.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5-dimethyl-3-methylsulfanylhepta-2,4-diene is sourced from PubChem (CID 142132194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).