10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane

C15H22O2 — CID 21348434

IUPAC10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
SMILESC=CCOCCC1CC2CC1C1C2CC2OC21
InChIInChI=1S/C15H22O2/c1-2-4-16-5-3-9-6-10-7-11(9)14-12(10)8-13-15(14)17-13/h2,9-15H,1,3-8H2
InChIKeyBWLQPFFUVKYNDR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.64
Rot. Bonds5

About 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane

10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane (PubChem CID 21348434) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane.

Molecular Properties

Compound Name10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
PubChem CID21348434
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
SMILESC=CCOCCC1CC2CC1C1C2CC2OC21
InChIInChI=1S/C15H22O2/c1-2-4-16-5-3-9-6-10-7-11(9)14-12(10)8-13-15(14)17-13/h2,9-15H,1,3-8H2
InChIKeyBWLQPFFUVKYNDR-UHFFFAOYSA-N
XLogP2.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
The IUPAC name of 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane (CID 21348434) is 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane.
What is the SMILES notation for 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
The canonical SMILES for 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane is C=CCOCCC1CC2CC1C1C2CC2OC21.
What is the InChIKey of 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
The InChIKey is BWLQPFFUVKYNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-4-16-5-3-9-6-10-7-11(9)14-12(10)8-13-15(14)17-13/h2,9-15H,1,3-8H2.
What are the key properties of 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane has a molecular weight of 234.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-prop-2-enoxyethyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane is sourced from PubChem (CID 21348434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).