(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene

C12H18S — CID 134527831

IUPAC(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene
SMILESC=C/C=C(C)/C(=C/C=C(C)C)SC
InChIInChI=1S/C12H18S/c1-6-7-11(4)12(13-5)9-8-10(2)3/h6-9H,1H2,2-5H3/b11-7+,12-9-
InChIKeyJDBDWSKSYKWHGF-WSWPAOCJSA-N
MW194.34 g/mol
LogP4.33
Rot. Bonds4

About (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene

(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene (PubChem CID 134527831) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene
PubChem CID134527831
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene
SMILESC=C/C=C(C)/C(=C/C=C(C)C)SC
InChIInChI=1S/C12H18S/c1-6-7-11(4)12(13-5)9-8-10(2)3/h6-9H,1H2,2-5H3/b11-7+,12-9-
InChIKeyJDBDWSKSYKWHGF-WSWPAOCJSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.33
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

(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
ethane;(3E)-6-methyl-3-methylsulfanylhepta-1,3,5-triene
CID 142400872
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
ethane;(3E,5Z)-5-methylhepta-1,3,5-triene-4-thiol
CID 144628766
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene?
The IUPAC name of (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene (CID 134527831) is (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene?
The canonical SMILES for (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene is C=C/C=C(C)/C(=C/C=C(C)C)SC.
What is the InChIKey of (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene?
The InChIKey is JDBDWSKSYKWHGF-WSWPAOCJSA-N. The full InChI is InChI=1S/C12H18S/c1-6-7-11(4)12(13-5)9-8-10(2)3/h6-9H,1H2,2-5H3/b11-7+,12-9-.
What are the key properties of (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene?
(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene has a molecular weight of 194.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene is sourced from PubChem (CID 134527831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).