[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane

C21H36OS — CID 15530594

IUPAC[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane
SMILESCSC(=C\C1CCCCC1)/C(=C/CC(C)C)OC1CCCCC1
InChIInChI=1S/C21H36OS/c1-17(2)14-15-20(22-19-12-8-5-9-13-19)21(23-3)16-18-10-6-4-7-11-18/h15-19H,4-14H2,1-3H3/b20-15-,21-16-
InChIKeyVYGWLLLPBVUXCF-DRXLFAFDSA-N
MW336.59 g/mol
LogP7.09
Rot. Bonds7

About [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane

[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane (PubChem CID 15530594) has the molecular formula C21H36OS and a molecular weight of 336.59 g/mol. Its IUPAC name is [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane.

Molecular Properties

Compound Name[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane
PubChem CID15530594
Molecular FormulaC21H36OS
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane
SMILESCSC(=C\C1CCCCC1)/C(=C/CC(C)C)OC1CCCCC1
InChIInChI=1S/C21H36OS/c1-17(2)14-15-20(22-19-12-8-5-9-13-19)21(23-3)16-18-10-6-4-7-11-18/h15-19H,4-14H2,1-3H3/b20-15-,21-16-
InChIKeyVYGWLLLPBVUXCF-DRXLFAFDSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
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 [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane with MolForge

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Related Compounds

[(3Z,5Z)-5-methylsulfanyltrideca-3,5-dien-4-yl]oxycyclohexane
CID 15530589
(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
(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
[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane
CID 15530595
(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
(1S,2R,4R)-2-[(2Z,4Z,6S)-6-ethyl-4-methylsulfanyldeca-2,4-dien-3-yl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 101181290
(1S,2R,4R)-2-[(2Z,4E,6R)-6-ethyl-4-methylsulfanyldeca-2,4-dien-3-yl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 101181291

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane?
The IUPAC name of [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane (CID 15530594) is [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane.
What is the SMILES notation for [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane?
The canonical SMILES for [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane is CSC(=C\C1CCCCC1)/C(=C/CC(C)C)OC1CCCCC1.
What is the InChIKey of [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane?
The InChIKey is VYGWLLLPBVUXCF-DRXLFAFDSA-N. The full InChI is InChI=1S/C21H36OS/c1-17(2)14-15-20(22-19-12-8-5-9-13-19)21(23-3)16-18-10-6-4-7-11-18/h15-19H,4-14H2,1-3H3/b20-15-,21-16-.
What are the key properties of [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane?
[(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane has a molecular weight of 336.59 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-1-cyclohexyl-6-methyl-2-methylsulfanylhepta-1,3-dien-3-yl]oxycyclohexane is sourced from PubChem (CID 15530594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).