(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene

C13H24OS — CID 59931986

IUPAC(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene
SMILESCC/C=C\C/C=C\CC(C)(COC)SC
InChIInChI=1S/C13H24OS/c1-5-6-7-8-9-10-11-13(2,15-4)12-14-3/h6-7,9-10H,5,8,11-12H2,1-4H3/b7-6-,10-9-
InChIKeyMTYHQTFBUHAGHW-HZJYTTRNSA-N
MW228.40 g/mol
LogP4.06
Rot. Bonds8

About (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene

(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene (PubChem CID 59931986) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene.

Molecular Properties

Compound Name(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene
PubChem CID59931986
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene
SMILESCC/C=C\C/C=C\CC(C)(COC)SC
InChIInChI=1S/C13H24OS/c1-5-6-7-8-9-10-11-13(2,15-4)12-14-3/h6-7,9-10H,5,8,11-12H2,1-4H3/b7-6-,10-9-
InChIKeyMTYHQTFBUHAGHW-HZJYTTRNSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 54.06
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

(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol
CID 59931985
5-(2-ethoxyethyl)-5-methyl-2-propan-2-yl-2H-thiophene
CID 123140848
7-(Methylsulfanylmethoxy)hept-3-ene
CID 123999516
(Z)-5-(methoxymethyl)-6-methyl-4-methylsulfanylhept-3-ene
CID 143926230
7-(1-Butylsulfanylethoxy)-5,6-dimethylhept-3-ene
CID 145634551

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene?
The IUPAC name of (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene (CID 59931986) is (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene.
What is the SMILES notation for (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene?
The canonical SMILES for (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene is CC/C=C\C/C=C\CC(C)(COC)SC.
What is the InChIKey of (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene?
The InChIKey is MTYHQTFBUHAGHW-HZJYTTRNSA-N. The full InChI is InChI=1S/C13H24OS/c1-5-6-7-8-9-10-11-13(2,15-4)12-14-3/h6-7,9-10H,5,8,11-12H2,1-4H3/b7-6-,10-9-.
What are the key properties of (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene?
(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene has a molecular weight of 228.40 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene is sourced from PubChem (CID 59931986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).