(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene

C13H24S2 — CID 11299561

IUPAC(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
SMILESCSC(=CC[C@H](C)CCC=C(C)C)SC
InChIInChI=1S/C13H24S2/c1-11(2)7-6-8-12(3)9-10-13(14-4)15-5/h7,10,12H,6,8-9H2,1-5H3/t12-/m1/s1
InChIKeyMBMNVGMDDXXCCB-GFCCVEGCSA-N
MW244.47 g/mol
LogP5.33
Rot. Bonds7

About (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene

(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene (PubChem CID 11299561) has the molecular formula C13H24S2 and a molecular weight of 244.47 g/mol. Its IUPAC name is (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene.

Molecular Properties

Compound Name(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
PubChem CID11299561
Molecular FormulaC13H24S2
Molecular Weight244.47 g/mol
Exact Mass244.13
IUPAC Name(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
SMILESCSC(=CC[C@H](C)CCC=C(C)C)SC
InChIInChI=1S/C13H24S2/c1-11(2)7-6-8-12(3)9-10-13(14-4)15-5/h7,10,12H,6,8-9H2,1-5H3/t12-/m1/s1
InChIKeyMBMNVGMDDXXCCB-GFCCVEGCSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
CID 98562862
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
CID 15276139
[(1E)-1-[hydroxy(methyl)phosphoryl]-4,8-dimethylnona-1,7-dienyl]phosphonic acid
CID 91929109
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
5,9-dimethyldeca-1,8-diene
CID 12578605
N,2,6-trimethylhept-5-en-1-amine
CID 146817482
2,6,10-trimethylundec-2-ene
CID 14805750

Frequently Asked Questions

What is the IUPAC name of (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene?
The IUPAC name of (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene (CID 11299561) is (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene.
What is the SMILES notation for (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene?
The canonical SMILES for (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene is CSC(=CC[C@H](C)CCC=C(C)C)SC.
What is the InChIKey of (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene?
The InChIKey is MBMNVGMDDXXCCB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24S2/c1-11(2)7-6-8-12(3)9-10-13(14-4)15-5/h7,10,12H,6,8-9H2,1-5H3/t12-/m1/s1.
What are the key properties of (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene?
(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene has a molecular weight of 244.47 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene is sourced from PubChem (CID 11299561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).