1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene

C16H26O3 — CID 90421597

IUPAC1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene
SMILESC=COC=C.C=COCC1(COC=C)CCCCC1
InChIInChI=1S/C12H20O2.C4H6O/c1-3-13-10-12(11-14-4-2)8-6-5-7-9-12;1-3-5-4-2/h3-4H,1-2,5-11H2;3-4H,1-2H2
InChIKeyYTBWUEJOXSUMKN-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.55
Rot. Bonds8

About 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene

1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene (PubChem CID 90421597) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene.

Molecular Properties

Compound Name1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene
PubChem CID90421597
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene
SMILESC=COC=C.C=COCC1(COC=C)CCCCC1
InChIInChI=1S/C12H20O2.C4H6O/c1-3-13-10-12(11-14-4-2)8-6-5-7-9-12;1-3-5-4-2/h3-4H,1-2,5-11H2;3-4H,1-2H2
InChIKeyYTBWUEJOXSUMKN-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene?
The IUPAC name of 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene (CID 90421597) is 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene.
What is the SMILES notation for 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene?
The canonical SMILES for 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene is C=COC=C.C=COCC1(COC=C)CCCCC1.
What is the InChIKey of 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene?
The InChIKey is YTBWUEJOXSUMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C4H6O/c1-3-13-10-12(11-14-4-2)8-6-5-7-9-12;1-3-5-4-2/h3-4H,1-2,5-11H2;3-4H,1-2H2.
What are the key properties of 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene?
1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene has a molecular weight of 266.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenoxymethyl)cyclohexane;ethenoxyethene is sourced from PubChem (CID 90421597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).