2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene

C12H16O — CID 123977964

IUPAC2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC=CC12CCCC1C1C=CC2O1
InChIInChI=1S/C12H16O/c1-2-7-12-8-3-4-9(12)10-5-6-11(12)13-10/h2,5-7,9-11H,3-4,8H2,1H3
InChIKeyAGKGUYKIVHGUHW-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds1

About 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene

2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 123977964) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID123977964
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC=CC12CCCC1C1C=CC2O1
InChIInChI=1S/C12H16O/c1-2-7-12-8-3-4-9(12)10-5-6-11(12)13-10/h2,5-7,9-11H,3-4,8H2,1H3
InChIKeyAGKGUYKIVHGUHW-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Italicene ether
CID 14105916
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(-) Italicene ether
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2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
Clavufuranolide C
CID 171119629
10-Epi-italicene ether
CID 91747401
(1E,4S,7R,8Z,13R)-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]trideca-1(12),8-diene
CID 11816829
8-Allyloxymethylcamphene
CID 129764895
(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 134895810
(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene
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(3R,3aR,6S,6aS)-3-[(Z)-but-2-en-2-yl]-1,3a,6,6a-tetramethyl-3,6-dihydro-1H-cyclopenta[c]furan
CID 134965926
(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155929543

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 123977964) is 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene is CC=CC12CCCC1C1C=CC2O1.
What is the InChIKey of 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is AGKGUYKIVHGUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-7-12-8-3-4-9(12)10-5-6-11(12)13-10/h2,5-7,9-11H,3-4,8H2,1H3.
What are the key properties of 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 176.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 123977964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).