10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one

C13H18O2 — CID 21301449

IUPAC10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one
SMILESC=C(C)C1C(=O)OC2CC1C1CCCC21
InChIInChI=1S/C13H18O2/c1-7(2)12-10-6-11(15-13(12)14)9-5-3-4-8(9)10/h8-12H,1,3-6H2,2H3
InChIKeyNPEFASADXZXOHI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.54
Rot. Bonds1

About 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one

10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one (PubChem CID 21301449) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one.

Molecular Properties

Compound Name10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one
PubChem CID21301449
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one
SMILESC=C(C)C1C(=O)OC2CC1C1CCCC21
InChIInChI=1S/C13H18O2/c1-7(2)12-10-6-11(15-13(12)14)9-5-3-4-8(9)10/h8-12H,1,3-6H2,2H3
InChIKeyNPEFASADXZXOHI-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.54
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 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one?
The IUPAC name of 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one (CID 21301449) is 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one.
What is the SMILES notation for 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one?
The canonical SMILES for 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one is C=C(C)C1C(=O)OC2CC1C1CCCC21.
What is the InChIKey of 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one?
The InChIKey is NPEFASADXZXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-7(2)12-10-6-11(15-13(12)14)9-5-3-4-8(9)10/h8-12H,1,3-6H2,2H3.
What are the key properties of 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one?
10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one has a molecular weight of 206.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-prop-1-en-2-yl-8-oxatricyclo[5.3.1.02,6]undecan-9-one is sourced from PubChem (CID 21301449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).