1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane

C17H26O — CID 123557333

IUPAC1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane
SMILESC#CC=CC(=CC)COC(C)C1(C)CCCCC1
InChIInChI=1S/C17H26O/c1-5-7-11-16(6-2)14-18-15(3)17(4)12-9-8-10-13-17/h1,6-7,11,15H,8-10,12-14H2,2-4H3
InChIKeyVFKGIDUIYFSVEU-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.50
Rot. Bonds5

About 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane

1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane (PubChem CID 123557333) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane.

Molecular Properties

Compound Name1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane
PubChem CID123557333
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane
SMILESC#CC=CC(=CC)COC(C)C1(C)CCCCC1
InChIInChI=1S/C17H26O/c1-5-7-11-16(6-2)14-18-15(3)17(4)12-9-8-10-13-17/h1,6-7,11,15H,8-10,12-14H2,2-4H3
InChIKeyVFKGIDUIYFSVEU-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane 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

1-(1-methylcyclohexyl)-2-propan-2-yloxyethanol
CID 106830958
N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine
CID 143063008
1-(1-methylcyclohexyl)ethyl acetate
CID 140967924
1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne
CID 142322103
1-(1-methylcyclohexyl)but-3-yn-1-amine
CID 106829766
2-cyclohexyl-1-(1-methylcyclopentyl)ethanol
CID 115786279
1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane
CID 89304186
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
1-(1-methoxy-2-methylpropyl)-1-methylcyclopentane
CID 23384637
1-(1-methylcyclopentyl)prop-2-en-1-ol
CID 115814911
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
methyl 2-(1-ethynylcyclopentyl)oxyacetate
CID 18000984

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane?
The IUPAC name of 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane (CID 123557333) is 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane.
What is the SMILES notation for 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane?
The canonical SMILES for 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane is C#CC=CC(=CC)COC(C)C1(C)CCCCC1.
What is the InChIKey of 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane?
The InChIKey is VFKGIDUIYFSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-7-11-16(6-2)14-18-15(3)17(4)12-9-8-10-13-17/h1,6-7,11,15H,8-10,12-14H2,2-4H3.
What are the key properties of 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane?
1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane has a molecular weight of 246.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane is sourced from PubChem (CID 123557333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).