(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene

C12H20S — CID 135270268

IUPAC(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene
SMILESC=C(C)C(=C)CC(C)/C(C)=C\SC
InChIInChI=1S/C12H20S/c1-9(2)10(3)7-11(4)12(5)8-13-6/h8,11H,1,3,7H2,2,4-6H3/b12-8-
InChIKeyZTDHCISBRXRZFP-WQLSENKSSA-N
MW196.36 g/mol
LogP4.41
Rot. Bonds5

About (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene

(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene (PubChem CID 135270268) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene.

Molecular Properties

Compound Name(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene
PubChem CID135270268
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene
SMILESC=C(C)C(=C)CC(C)/C(C)=C\SC
InChIInChI=1S/C12H20S/c1-9(2)10(3)7-11(4)12(5)8-13-6/h8,11H,1,3,7H2,2,4-6H3/b12-8-
InChIKeyZTDHCISBRXRZFP-WQLSENKSSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.41
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

3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
2,4-Dimethylhex-1-ene-1-thiol
CID 59877406
(Z)-2-propan-2-ylpent-1-ene-1-thiol
CID 89246786
(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene
CID 89270962
4-Methyl-6-propan-2-yl-2,3,4,5-tetrahydrothiepine
CID 89305724
6-Methyl-3-methylideneheptane-1-thiol
CID 89360898
4-Methyl-3-(methylsulfanylmethylidene)hex-1-ene
CID 90755448
6-Methyl-2-methylsulfanyloct-1-ene
CID 90939983
2-Methyl-3-(methylsulfanylmethylidene)pentane
CID 91083901
2-Ethyl-4-methylidenehept-6-ene-1-thiol
CID 91523467
lithium 4-(2-ethylhexyl)-2H-thiophen-2-ide
CID 117853346
2,5-Dimethylhept-1-ene-3-thione
CID 123172040

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene?
The IUPAC name of (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene (CID 135270268) is (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene.
What is the SMILES notation for (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene?
The canonical SMILES for (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene is C=C(C)C(=C)CC(C)/C(C)=C\SC.
What is the InChIKey of (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene?
The InChIKey is ZTDHCISBRXRZFP-WQLSENKSSA-N. The full InChI is InChI=1S/C12H20S/c1-9(2)10(3)7-11(4)12(5)8-13-6/h8,11H,1,3,7H2,2,4-6H3/b12-8-.
What are the key properties of (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene?
(1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene has a molecular weight of 196.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,3,6-trimethyl-5-methylidene-1-methylsulfanylhepta-1,6-diene is sourced from PubChem (CID 135270268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).