1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane

C16H30O — CID 129164282

IUPAC1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane
SMILESC=C1CC(C)CC(CC)(COC(C)C(C)C)C1
InChIInChI=1S/C16H30O/c1-7-16(11-17-15(6)12(2)3)9-13(4)8-14(5)10-16/h12,14-15H,4,7-11H2,1-3,5-6H3
InChIKeyVPLFIXDXUXMXBF-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.82
Rot. Bonds5

About 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane

1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane (PubChem CID 129164282) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane
PubChem CID129164282
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane
SMILESC=C1CC(C)CC(CC)(COC(C)C(C)C)C1
InChIInChI=1S/C16H30O/c1-7-16(11-17-15(6)12(2)3)9-13(4)8-14(5)10-16/h12,14-15H,4,7-11H2,1-3,5-6H3
InChIKeyVPLFIXDXUXMXBF-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane?
The IUPAC name of 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane (CID 129164282) is 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane.
What is the SMILES notation for 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane?
The canonical SMILES for 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane is C=C1CC(C)CC(CC)(COC(C)C(C)C)C1.
What is the InChIKey of 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane?
The InChIKey is VPLFIXDXUXMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-7-16(11-17-15(6)12(2)3)9-13(4)8-14(5)10-16/h12,14-15H,4,7-11H2,1-3,5-6H3.
What are the key properties of 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane?
1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane has a molecular weight of 238.41 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane is sourced from PubChem (CID 129164282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).