1,1,2-tris(2-ethenoxyethyl)cyclohexane

C18H30O3 — CID 67110006

IUPAC1,1,2-tris(2-ethenoxyethyl)cyclohexane
SMILESC=COCCC1CCCCC1(CCOC=C)CCOC=C
InChIInChI=1S/C18H30O3/c1-4-19-14-10-17-9-7-8-11-18(17,12-15-20-5-2)13-16-21-6-3/h4-6,17H,1-3,7-16H2
InChIKeyGGPHNDAZYSNWOS-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.81
Rot. Bonds12

About 1,1,2-tris(2-ethenoxyethyl)cyclohexane

1,1,2-tris(2-ethenoxyethyl)cyclohexane (PubChem CID 67110006) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,1,2-tris(2-ethenoxyethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2-tris(2-ethenoxyethyl)cyclohexane
PubChem CID67110006
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1,1,2-tris(2-ethenoxyethyl)cyclohexane
SMILESC=COCCC1CCCCC1(CCOC=C)CCOC=C
InChIInChI=1S/C18H30O3/c1-4-19-14-10-17-9-7-8-11-18(17,12-15-20-5-2)13-16-21-6-3/h4-6,17H,1-3,7-16H2
InChIKeyGGPHNDAZYSNWOS-UHFFFAOYSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,2-tris(2-ethenoxyethyl)cyclohexane?
The IUPAC name of 1,1,2-tris(2-ethenoxyethyl)cyclohexane (CID 67110006) is 1,1,2-tris(2-ethenoxyethyl)cyclohexane.
What is the SMILES notation for 1,1,2-tris(2-ethenoxyethyl)cyclohexane?
The canonical SMILES for 1,1,2-tris(2-ethenoxyethyl)cyclohexane is C=COCCC1CCCCC1(CCOC=C)CCOC=C.
What is the InChIKey of 1,1,2-tris(2-ethenoxyethyl)cyclohexane?
The InChIKey is GGPHNDAZYSNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-4-19-14-10-17-9-7-8-11-18(17,12-15-20-5-2)13-16-21-6-3/h4-6,17H,1-3,7-16H2.
What are the key properties of 1,1,2-tris(2-ethenoxyethyl)cyclohexane?
1,1,2-tris(2-ethenoxyethyl)cyclohexane has a molecular weight of 294.44 g/mol, XLogP of 4.81, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2-ethenoxyethyl)cyclohexane is sourced from PubChem (CID 67110006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).