1,3,5-tris(ethenoxy)cyclohexane

C12H18O3 — CID 23397705

IUPAC1,3,5-tris(ethenoxy)cyclohexane
SMILESC=COC1CC(OC=C)CC(OC=C)C1
InChIInChI=1S/C12H18O3/c1-4-13-10-7-11(14-5-2)9-12(8-10)15-6-3/h4-6,10-12H,1-3,7-9H2
InChIKeyPYCBJUDZYKRUJM-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.76
Rot. Bonds6

About 1,3,5-tris(ethenoxy)cyclohexane

1,3,5-tris(ethenoxy)cyclohexane (PubChem CID 23397705) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,3,5-tris(ethenoxy)cyclohexane.

Molecular Properties

Compound Name1,3,5-tris(ethenoxy)cyclohexane
PubChem CID23397705
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1,3,5-tris(ethenoxy)cyclohexane
SMILESC=COC1CC(OC=C)CC(OC=C)C1
InChIInChI=1S/C12H18O3/c1-4-13-10-7-11(14-5-2)9-12(8-10)15-6-3/h4-6,10-12H,1-3,7-9H2
InChIKeyPYCBJUDZYKRUJM-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.76
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

Cis-1,3-dimethoxycyclohexane
CID 22213706
1,3-Dimethoxycyclohexane
CID 547181
cis,trans-1,3,5-Trimethoxycyclohexane
CID 547415
1,3,5-Trimethoxycyclohexane
CID 164666436
trans-1,3-Dimethoxycyclohexane
CID 22213707
Ethenoxycyclohexane;ethenoxyethene
CID 21184928
3-Ethenoxycyclohexan-1-ol
CID 23370754
1,4-Bis(ethenoxy)-2-methoxycyclohexane
CID 59715538
1,3-Bis(ethenyloxy)cyclohexane
CID 59715545
1-Ethenoxy-3-methoxycyclohexane
CID 66367397
Cyclohexane-1,3-diol;ethenoxyethene
CID 69042716
1,5-Bis(ethenoxy)hexane
CID 87339315

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(ethenoxy)cyclohexane?
The IUPAC name of 1,3,5-tris(ethenoxy)cyclohexane (CID 23397705) is 1,3,5-tris(ethenoxy)cyclohexane.
What is the SMILES notation for 1,3,5-tris(ethenoxy)cyclohexane?
The canonical SMILES for 1,3,5-tris(ethenoxy)cyclohexane is C=COC1CC(OC=C)CC(OC=C)C1.
What is the InChIKey of 1,3,5-tris(ethenoxy)cyclohexane?
The InChIKey is PYCBJUDZYKRUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-13-10-7-11(14-5-2)9-12(8-10)15-6-3/h4-6,10-12H,1-3,7-9H2.
What are the key properties of 1,3,5-tris(ethenoxy)cyclohexane?
1,3,5-tris(ethenoxy)cyclohexane has a molecular weight of 210.27 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(ethenoxy)cyclohexane is sourced from PubChem (CID 23397705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).