(3E)-3-methyl-7-methylsulfanylnona-3,5-diene

C11H20S — CID 142123449

IUPAC(3E)-3-methyl-7-methylsulfanylnona-3,5-diene
SMILESCC/C(C)=C/C=CC(CC)SC
InChIInChI=1S/C11H20S/c1-5-10(3)8-7-9-11(6-2)12-4/h7-9,11H,5-6H2,1-4H3/b9-7?,10-8+
InChIKeyBNDVXFUJTXLMAY-LSVQJBSPSA-N
MW184.35 g/mol
LogP4.04
Rot. Bonds5

About (3E)-3-methyl-7-methylsulfanylnona-3,5-diene

(3E)-3-methyl-7-methylsulfanylnona-3,5-diene (PubChem CID 142123449) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (3E)-3-methyl-7-methylsulfanylnona-3,5-diene.

Molecular Properties

Compound Name(3E)-3-methyl-7-methylsulfanylnona-3,5-diene
PubChem CID142123449
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(3E)-3-methyl-7-methylsulfanylnona-3,5-diene
SMILESCC/C(C)=C/C=CC(CC)SC
InChIInChI=1S/C11H20S/c1-5-10(3)8-7-9-11(6-2)12-4/h7-9,11H,5-6H2,1-4H3/b9-7?,10-8+
InChIKeyBNDVXFUJTXLMAY-LSVQJBSPSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.04
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-ethyl-6-methylocta-3,5-dien-1-ol
CID 88809517
5-methyl-2-methylsulfanylhepta-2,4-diene
CID 123877694
2,5-dimethylhepta-2,4-diene
CID 54097255
(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene
CID 165001579
(4E,6E)-2,7-dimethyl-4-methylsulfanylnona-2,4,6-triene
CID 88885973
(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
CID 19107719
7-methylnona-4,6-dien-3-one
CID 90846612
(5E)-2,6-dimethylocta-3,5-dien-2-ol
CID 6436463
(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
CID 174026900
3-ethyl-7-methylundeca-4,6-diene
CID 123921813
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
5-(methyldisulfanyl)hepta-1,3-diene
CID 123802058

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methyl-7-methylsulfanylnona-3,5-diene?
The IUPAC name of (3E)-3-methyl-7-methylsulfanylnona-3,5-diene (CID 142123449) is (3E)-3-methyl-7-methylsulfanylnona-3,5-diene.
What is the SMILES notation for (3E)-3-methyl-7-methylsulfanylnona-3,5-diene?
The canonical SMILES for (3E)-3-methyl-7-methylsulfanylnona-3,5-diene is CC/C(C)=C/C=CC(CC)SC.
What is the InChIKey of (3E)-3-methyl-7-methylsulfanylnona-3,5-diene?
The InChIKey is BNDVXFUJTXLMAY-LSVQJBSPSA-N. The full InChI is InChI=1S/C11H20S/c1-5-10(3)8-7-9-11(6-2)12-4/h7-9,11H,5-6H2,1-4H3/b9-7?,10-8+.
What are the key properties of (3E)-3-methyl-7-methylsulfanylnona-3,5-diene?
(3E)-3-methyl-7-methylsulfanylnona-3,5-diene has a molecular weight of 184.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methyl-7-methylsulfanylnona-3,5-diene is sourced from PubChem (CID 142123449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).