1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane

C18H30O3 — CID 20661392

IUPAC1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane
SMILESC=COCC1(C)CC(C)(COC=C)CC(C)(COC=C)C1
InChIInChI=1S/C18H30O3/c1-7-19-13-16(4)10-17(5,14-20-8-2)12-18(6,11-16)15-21-9-3/h7-9H,1-3,10-15H2,4-6H3
InChIKeyDTGGGYDCQIHQKA-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.67
Rot. Bonds9

About 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane

1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane (PubChem CID 20661392) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane
PubChem CID20661392
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane
SMILESC=COCC1(C)CC(C)(COC=C)CC(C)(COC=C)C1
InChIInChI=1S/C18H30O3/c1-7-19-13-16(4)10-17(5,14-20-8-2)12-18(6,11-16)15-21-9-3/h7-9H,1-3,10-15H2,4-6H3
InChIKeyDTGGGYDCQIHQKA-UHFFFAOYSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chdmdve
CID 21867826
1-(Ethenoxymethyl)-1-methylcyclohexane
CID 20824813
1-(Ethenoxymethyl)-1-(methoxymethyl)cyclohexane
CID 21960617
1,1,2-Tris(2-ethenoxyethyl)cyclohexane
CID 67110006
1,3,5-Tris[(ethenyloxy)methyl]cyclohexane
CID 71344256
cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane
CID 89369308
1,3-Bis(ethenoxymethyl)cyclohexane
CID 89566850
1,3,5-Tris(prop-1-enoxymethyl)cyclohexane
CID 89780872
1,3,5-Tris(1-ethenoxyethyl)cyclohexane
CID 89780900
1,1-Bis(ethenoxymethyl)cyclohexane;ethenoxyethene
CID 90421597
1,1-Bis(2-ethenoxyethyl)cyclohexane
CID 122641408
3-(Ethenoxymethyl)-1,1-dimethylcyclohexane
CID 153798167

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane?
The IUPAC name of 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane (CID 20661392) is 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane.
What is the SMILES notation for 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane?
The canonical SMILES for 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane is C=COCC1(C)CC(C)(COC=C)CC(C)(COC=C)C1.
What is the InChIKey of 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane?
The InChIKey is DTGGGYDCQIHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-7-19-13-16(4)10-17(5,14-20-8-2)12-18(6,11-16)15-21-9-3/h7-9H,1-3,10-15H2,4-6H3.
What are the key properties of 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane?
1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane has a molecular weight of 294.44 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane is sourced from PubChem (CID 20661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).