1,4-bis(2-ethenoxyethoxymethyl)cyclohexane

C16H28O4 — CID 71370153

IUPAC1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
SMILESC=COCCOCC1CCC(COCCOC=C)CC1
InChIInChI=1S/C16H28O4/c1-3-17-9-11-19-13-15-5-7-16(8-6-15)14-20-12-10-18-4-2/h3-4,15-16H,1-2,5-14H2
InChIKeyZNDITGQVKRBRGU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds12

About 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane

1,4-bis(2-ethenoxyethoxymethyl)cyclohexane (PubChem CID 71370153) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
PubChem CID71370153
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
SMILESC=COCCOCC1CCC(COCCOC=C)CC1
InChIInChI=1S/C16H28O4/c1-3-17-9-11-19-13-15-5-7-16(8-6-15)14-20-12-10-18-4-2/h3-4,15-16H,1-2,5-14H2
InChIKeyZNDITGQVKRBRGU-UHFFFAOYSA-N
XLogP3.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane?
The IUPAC name of 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane (CID 71370153) is 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane?
The canonical SMILES for 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane is C=COCCOCC1CCC(COCCOC=C)CC1.
What is the InChIKey of 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane?
The InChIKey is ZNDITGQVKRBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-17-9-11-19-13-15-5-7-16(8-6-15)14-20-12-10-18-4-2/h3-4,15-16H,1-2,5-14H2.
What are the key properties of 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane?
1,4-bis(2-ethenoxyethoxymethyl)cyclohexane has a molecular weight of 284.40 g/mol, XLogP of 3.15, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-ethenoxyethoxymethyl)cyclohexane is sourced from PubChem (CID 71370153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).