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

C15H24O — CID 6441804

IUPAC(4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1(C)C/C=C\CC/C=C\CCC2OC21C
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/b7-5-,10-8-
InChIKeyPUXIGTZUWRBNMW-RRMOSLQNSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds

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

(4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (PubChem CID 6441804) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.

Molecular Properties

Compound Name(4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
PubChem CID6441804
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1(C)C/C=C\CC/C=C\CCC2OC21C
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/b7-5-,10-8-
InChIKeyPUXIGTZUWRBNMW-RRMOSLQNSA-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'}

Analyze (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene with MolForge

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Related Compounds

Humulene epoxide II
CID 23274265
(-)-Humulene epoxide II
CID 10704181
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
13-Oxabicyclo[10.1.0]trideca-4,8-diene, 1,4,8-trimethyl-
CID 122515
(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 12900740
Alpha-Humulene Epoxide
CID 14038843
Humulene epoxyde
CID 5463721
Epoxy (1,11)humulene
CID 5363694
Humulene oxide II
CID 129317183
13-Oxabicyclo[10.1.0]trideca-4,8-diene,trimethyl-
CID 3037228
Npc1838
CID 5352470
CID 85778
CID 85778

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The IUPAC name of (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (CID 6441804) is (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.
What is the SMILES notation for (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The canonical SMILES for (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is CC1(C)C/C=C\CC/C=C\CCC2OC21C.
What is the InChIKey of (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The InChIKey is PUXIGTZUWRBNMW-RRMOSLQNSA-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/b7-5-,10-8-.
What are the key properties of (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
(4Z,8Z)-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 (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is sourced from PubChem (CID 6441804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).