(4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene

C15H24O — CID 118878546

IUPAC(4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESC/C1=C/OCC2(C)CC2CC/C(C)=C\CC1
InChIInChI=1S/C15H24O/c1-12-5-4-6-13(2)10-16-11-15(3)9-14(15)8-7-12/h5,10,14H,4,6-9,11H2,1-3H3/b12-5-,13-10-
InChIKeyAIKYFAAVEUKFJX-BBPISJSUSA-N
MW220.36 g/mol
LogP4.45
Rot. Bonds

About (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene

(4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene (PubChem CID 118878546) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene.

Molecular Properties

Compound Name(4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene
PubChem CID118878546
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESC/C1=C/OCC2(C)CC2CC/C(C)=C\CC1
InChIInChI=1S/C15H24O/c1-12-5-4-6-13(2)10-16-11-15(3)9-14(15)8-7-12/h5,10,14H,4,6-9,11H2,1-3H3/b12-5-,13-10-
InChIKeyAIKYFAAVEUKFJX-BBPISJSUSA-N
XLogP4.45
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 ≤ 54.45
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 (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene?
The IUPAC name of (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene (CID 118878546) is (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene.
What is the SMILES notation for (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene?
The canonical SMILES for (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene is C/C1=C/OCC2(C)CC2CC/C(C)=C\CC1.
What is the InChIKey of (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene?
The InChIKey is AIKYFAAVEUKFJX-BBPISJSUSA-N. The full InChI is InChI=1S/C15H24O/c1-12-5-4-6-13(2)10-16-11-15(3)9-14(15)8-7-12/h5,10,14H,4,6-9,11H2,1-3H3/b12-5-,13-10-.
What are the key properties of (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene?
(4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene has a molecular weight of 220.36 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-1,5,9-trimethyl-3-oxabicyclo[10.1.0]trideca-4,8-diene is sourced from PubChem (CID 118878546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).