1,3-bis(prop-2-enoxy)cyclohexane

C12H20O2 — CID 135037802

IUPAC1,3-bis(prop-2-enoxy)cyclohexane
SMILESC=CCOC1CCCC(OCC=C)C1
InChIInChI=1S/C12H20O2/c1-3-8-13-11-6-5-7-12(10-11)14-9-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyJARXKBOIZRJKLX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds6

About 1,3-bis(prop-2-enoxy)cyclohexane

1,3-bis(prop-2-enoxy)cyclohexane (PubChem CID 135037802) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3-bis(prop-2-enoxy)cyclohexane.

Molecular Properties

Compound Name1,3-bis(prop-2-enoxy)cyclohexane
PubChem CID135037802
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,3-bis(prop-2-enoxy)cyclohexane
SMILESC=CCOC1CCCC(OCC=C)C1
InChIInChI=1S/C12H20O2/c1-3-8-13-11-6-5-7-12(10-11)14-9-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyJARXKBOIZRJKLX-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enoxy)cyclohexane?
The IUPAC name of 1,3-bis(prop-2-enoxy)cyclohexane (CID 135037802) is 1,3-bis(prop-2-enoxy)cyclohexane.
What is the SMILES notation for 1,3-bis(prop-2-enoxy)cyclohexane?
The canonical SMILES for 1,3-bis(prop-2-enoxy)cyclohexane is C=CCOC1CCCC(OCC=C)C1.
What is the InChIKey of 1,3-bis(prop-2-enoxy)cyclohexane?
The InChIKey is JARXKBOIZRJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-8-13-11-6-5-7-12(10-11)14-9-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 1,3-bis(prop-2-enoxy)cyclohexane?
1,3-bis(prop-2-enoxy)cyclohexane has a molecular weight of 196.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enoxy)cyclohexane is sourced from PubChem (CID 135037802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).