1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane

C18H30O — CID 66833523

IUPAC1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane
SMILESC=C(OC(=C)C1(C)CCCCC1)C1(C)CCCCC1
InChIInChI=1S/C18H30O/c1-15(17(3)11-7-5-8-12-17)19-16(2)18(4)13-9-6-10-14-18/h1-2,5-14H2,3-4H3
InChIKeyKXRUCXNCSVXKPC-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.97
Rot. Bonds4

About 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane

1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane (PubChem CID 66833523) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane
PubChem CID66833523
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane
SMILESC=C(OC(=C)C1(C)CCCCC1)C1(C)CCCCC1
InChIInChI=1S/C18H30O/c1-15(17(3)11-7-5-8-12-17)19-16(2)18(4)13-9-6-10-14-18/h1-2,5-14H2,3-4H3
InChIKeyKXRUCXNCSVXKPC-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane?
The IUPAC name of 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane (CID 66833523) is 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane.
What is the SMILES notation for 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane?
The canonical SMILES for 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane is C=C(OC(=C)C1(C)CCCCC1)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane?
The InChIKey is KXRUCXNCSVXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-15(17(3)11-7-5-8-12-17)19-16(2)18(4)13-9-6-10-14-18/h1-2,5-14H2,3-4H3.
What are the key properties of 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane?
1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane has a molecular weight of 262.44 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane is sourced from PubChem (CID 66833523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).