2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene

C15H24O — CID 613224

IUPAC2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene
SMILESCC1=CCCC2(C)CCC3CC12OCC3C
InChIInChI=1S/C15H24O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,11,13H,4,6-10H2,1-3H3
InChIKeyVSBDKQAMQHYYAV-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene

2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene (PubChem CID 613224) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene.

Molecular Properties

Compound Name2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene
PubChem CID613224
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene
SMILESCC1=CCCC2(C)CCC3CC12OCC3C
InChIInChI=1S/C15H24O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,11,13H,4,6-10H2,1-3H3
InChIKeyVSBDKQAMQHYYAV-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
The IUPAC name of 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene (CID 613224) is 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene.
What is the SMILES notation for 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
The canonical SMILES for 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene is CC1=CCCC2(C)CCC3CC12OCC3C.
What is the InChIKey of 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
The InChIKey is VSBDKQAMQHYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,11,13H,4,6-10H2,1-3H3.
What are the key properties of 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene has a molecular weight of 220.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-12-oxatricyclo[7.3.1.01,6]tridec-2-ene is sourced from PubChem (CID 613224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).