1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane

C16H24O2 — CID 23113259

IUPAC1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
SMILESC=CCOC1CC2C3CCC(OCC=C)(C3)C2C1
InChIInChI=1S/C16H24O2/c1-3-7-17-13-9-14-12-5-6-16(11-12,15(14)10-13)18-8-4-2/h3-4,12-15H,1-2,5-11H2
InChIKeyYSMSOEIYSXPOSV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds6

About 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane

1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane (PubChem CID 23113259) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
PubChem CID23113259
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
SMILESC=CCOC1CC2C3CCC(OCC=C)(C3)C2C1
InChIInChI=1S/C16H24O2/c1-3-7-17-13-9-14-12-5-6-16(11-12,15(14)10-13)18-8-4-2/h3-4,12-15H,1-2,5-11H2
InChIKeyYSMSOEIYSXPOSV-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
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 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane (CID 23113259) is 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane is C=CCOC1CC2C3CCC(OCC=C)(C3)C2C1.
What is the InChIKey of 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is YSMSOEIYSXPOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-7-17-13-9-14-12-5-6-16(11-12,15(14)10-13)18-8-4-2/h3-4,12-15H,1-2,5-11H2.
What are the key properties of 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 248.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 23113259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).