(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

C15H22O3 — CID 155757011

IUPAC(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2(OCC)CC1C1CCCC12
InChIInChI=1S/C15H22O3/c1-3-14(16)18-13-9-15(17-4-2)8-11(13)10-6-5-7-12(10)15/h3,10-13H,1,4-9H2,2H3
InChIKeyGUYFOMDAHRTDOH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.70
Rot. Bonds4

About (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (PubChem CID 155757011) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.

Molecular Properties

Compound Name(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
PubChem CID155757011
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2(OCC)CC1C1CCCC12
InChIInChI=1S/C15H22O3/c1-3-14(16)18-13-9-15(17-4-2)8-11(13)10-6-5-7-12(10)15/h3,10-13H,1,4-9H2,2H3
InChIKeyGUYFOMDAHRTDOH-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The IUPAC name of (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (CID 155757011) is (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.
What is the SMILES notation for (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The canonical SMILES for (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is C=CC(=O)OC1CC2(OCC)CC1C1CCCC12.
What is the InChIKey of (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The InChIKey is GUYFOMDAHRTDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-14(16)18-13-9-15(17-4-2)8-11(13)10-6-5-7-12(10)15/h3,10-13H,1,4-9H2,2H3.
What are the key properties of (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate has a molecular weight of 250.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is sourced from PubChem (CID 155757011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).