[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane

C20H36OS — CID 15530595

IUPAC[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane
SMILESCC/C=C(OC1CCCCC1)/C(=C/C(CC)CCCC)SC
InChIInChI=1S/C20H36OS/c1-5-8-13-17(7-3)16-20(22-4)19(12-6-2)21-18-14-10-9-11-15-18/h12,16-18H,5-11,13-15H2,1-4H3/b19-12-,20-16-
InChIKeyRRNXVQDSGHEHMC-SOHCQTMUSA-N
MW324.57 g/mol
LogP7.09
Rot. Bonds10

About [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane

[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane (PubChem CID 15530595) has the molecular formula C20H36OS and a molecular weight of 324.57 g/mol. Its IUPAC name is [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane.

Molecular Properties

Compound Name[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane
PubChem CID15530595
Molecular FormulaC20H36OS
Molecular Weight324.57 g/mol
Exact Mass324.25
IUPAC Name[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane
SMILESCC/C=C(OC1CCCCC1)/C(=C/C(CC)CCCC)SC
InChIInChI=1S/C20H36OS/c1-5-8-13-17(7-3)16-20(22-4)19(12-6-2)21-18-14-10-9-11-15-18/h12,16-18H,5-11,13-15H2,1-4H3/b19-12-,20-16-
InChIKeyRRNXVQDSGHEHMC-SOHCQTMUSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.57
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3Z,5Z)-5-methylsulfanyltrideca-3,5-dien-4-yl]oxycyclohexane
CID 15530589
[(4Z,6Z)-6-methylsulfanyltetradeca-1,4,6-trien-5-yl]oxycyclohexane
CID 15530590
[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane
CID 15530594
(1S,2R,4R)-2-[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 134920821
[(1Z,3Z)-3-methylsulfanyl-2-prop-2-enoxyundeca-1,3-dienyl]cyclohexane
CID 134920902
[(1Z,3Z)-1-cyclohexyl-7-methyl-2-methylsulfanylocta-1,3-dien-3-yl]oxycyclohexane
CID 134920907
[(1Z,3Z)-2-ethoxy-3-methylsulfanylundeca-1,3-dienyl]cyclohexane
CID 134922159
[4-(Cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-pentylsulfanium
CID 145173370
(1S,2R,4R)-4-methyl-2-[(2Z,4Z)-4-methylsulfanyldodeca-2,4-dien-3-yl]oxy-1-propan-2-ylcyclohexane
CID 15530588
(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene
CID 15530592
(1S,2R,4R)-2-[(1Z,3Z)-1-cyclohexyl-5-methyl-2-methylsulfanylhexa-1,3-dien-3-yl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 15530593
(1S,2R,4R)-2-[(2Z,4Z,6R)-6-ethyl-4-methylsulfanyldeca-2,4-dien-3-yl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 101181289

Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane?
The IUPAC name of [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane (CID 15530595) is [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane.
What is the SMILES notation for [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane?
The canonical SMILES for [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane is CC/C=C(OC1CCCCC1)/C(=C/C(CC)CCCC)SC.
What is the InChIKey of [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane?
The InChIKey is RRNXVQDSGHEHMC-SOHCQTMUSA-N. The full InChI is InChI=1S/C20H36OS/c1-5-8-13-17(7-3)16-20(22-4)19(12-6-2)21-18-14-10-9-11-15-18/h12,16-18H,5-11,13-15H2,1-4H3/b19-12-,20-16-.
What are the key properties of [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane?
[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane has a molecular weight of 324.57 g/mol, XLogP of 7.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane is sourced from PubChem (CID 15530595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).