1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

C15H24O — CID 3037228

IUPAC1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1(C)CC=CCCC=CCCC2OC21C
InChIInChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3
InChIKeyPUXIGTZUWRBNMW-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds

About 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (PubChem CID 3037228) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.

Molecular Properties

Compound Name1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
PubChem CID3037228
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1(C)CC=CCCC=CCCC2OC21C
InChIInChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3
InChIKeyPUXIGTZUWRBNMW-UHFFFAOYSA-N
XLogP4.25
TPSA12.53 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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The IUPAC name of 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (CID 3037228) is 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.
What is the SMILES notation for 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The canonical SMILES for 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is CC1(C)CC=CCCC=CCCC2OC21C.
What is the InChIKey of 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The InChIKey is PUXIGTZUWRBNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3.
What are the key properties of 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene has a molecular weight of 220.36 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is sourced from PubChem (CID 3037228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).