1,4-bis(ethenoxy)-2-methoxycyclohexane

C11H18O3 — CID 59715538

IUPAC1,4-bis(ethenoxy)-2-methoxycyclohexane
SMILESC=COC1CCC(OC=C)C(OC)C1
InChIInChI=1S/C11H18O3/c1-4-13-9-6-7-10(14-5-2)11(8-9)12-3/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyZDMOQTJNOASJBX-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.24
Rot. Bonds5

About 1,4-bis(ethenoxy)-2-methoxycyclohexane

1,4-bis(ethenoxy)-2-methoxycyclohexane (PubChem CID 59715538) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)-2-methoxycyclohexane.

Molecular Properties

Compound Name1,4-bis(ethenoxy)-2-methoxycyclohexane
PubChem CID59715538
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1,4-bis(ethenoxy)-2-methoxycyclohexane
SMILESC=COC1CCC(OC=C)C(OC)C1
InChIInChI=1S/C11H18O3/c1-4-13-9-6-7-10(14-5-2)11(8-9)12-3/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyZDMOQTJNOASJBX-UHFFFAOYSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.24
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

CID 237179
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CID 547386
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CID 558588
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CID 129712839
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CID 568175
CID 568175
CID 20661389
CID 20661389
CID 23397705
CID 23397705
CID 59715545
CID 59715545
CID 66367397
CID 66367397
CID 71260609
CID 71260609
CID 86226552
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CID 86226556
CID 86226556

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenoxy)-2-methoxycyclohexane?
The IUPAC name of 1,4-bis(ethenoxy)-2-methoxycyclohexane (CID 59715538) is 1,4-bis(ethenoxy)-2-methoxycyclohexane.
What is the SMILES notation for 1,4-bis(ethenoxy)-2-methoxycyclohexane?
The canonical SMILES for 1,4-bis(ethenoxy)-2-methoxycyclohexane is C=COC1CCC(OC=C)C(OC)C1.
What is the InChIKey of 1,4-bis(ethenoxy)-2-methoxycyclohexane?
The InChIKey is ZDMOQTJNOASJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-13-9-6-7-10(14-5-2)11(8-9)12-3/h4-5,9-11H,1-2,6-8H2,3H3.
What are the key properties of 1,4-bis(ethenoxy)-2-methoxycyclohexane?
1,4-bis(ethenoxy)-2-methoxycyclohexane has a molecular weight of 198.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)-2-methoxycyclohexane is sourced from PubChem (CID 59715538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).