1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane

C17H30O2 — CID 10084296

IUPAC1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane
SMILESC=CCOC(C)(C(=C)OCC)C1(C)CCC(C)CC1
InChIInChI=1S/C17H30O2/c1-7-13-19-17(6,15(4)18-8-2)16(5)11-9-14(3)10-12-16/h7,14H,1,4,8-13H2,2-3,5-6H3
InChIKeyMEECLISRJQURBG-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.71
Rot. Bonds7

About 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane

1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane (PubChem CID 10084296) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane
PubChem CID10084296
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane
SMILESC=CCOC(C)(C(=C)OCC)C1(C)CCC(C)CC1
InChIInChI=1S/C17H30O2/c1-7-13-19-17(6,15(4)18-8-2)16(5)11-9-14(3)10-12-16/h7,14H,1,4,8-13H2,2-3,5-6H3
InChIKeyMEECLISRJQURBG-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane?
The IUPAC name of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane (CID 10084296) is 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane.
What is the SMILES notation for 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane?
The canonical SMILES for 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane is C=CCOC(C)(C(=C)OCC)C1(C)CCC(C)CC1.
What is the InChIKey of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane?
The InChIKey is MEECLISRJQURBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-13-19-17(6,15(4)18-8-2)16(5)11-9-14(3)10-12-16/h7,14H,1,4,8-13H2,2-3,5-6H3.
What are the key properties of 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane?
1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane has a molecular weight of 266.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-prop-2-enoxybut-3-en-2-yl)-1,4-dimethylcyclohexane is sourced from PubChem (CID 10084296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).