4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene

C24H38O — CID 123695075

IUPAC4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene
SMILESC=C(C(C)=C(C(C)C)C1OC2=C(CC=CC(C)C2)CCC1C)C(C)C
InChIInChI=1S/C24H38O/c1-15(2)19(7)20(8)23(16(3)4)24-18(6)12-13-21-11-9-10-17(5)14-22(21)25-24/h9-10,15-18,24H,7,11-14H2,1-6,8H3
InChIKeyXUIKJSLGZSBFGZ-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.23
Rot. Bonds4

About 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene

4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene (PubChem CID 123695075) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene.

Molecular Properties

Compound Name4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene
PubChem CID123695075
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene
SMILESC=C(C(C)=C(C(C)C)C1OC2=C(CC=CC(C)C2)CCC1C)C(C)C
InChIInChI=1S/C24H38O/c1-15(2)19(7)20(8)23(16(3)4)24-18(6)12-13-21-11-9-10-17(5)14-22(21)25-24/h9-10,15-18,24H,7,11-14H2,1-6,8H3
InChIKeyXUIKJSLGZSBFGZ-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene?
The IUPAC name of 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene (CID 123695075) is 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene.
What is the SMILES notation for 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene?
The canonical SMILES for 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene is C=C(C(C)=C(C(C)C)C1OC2=C(CC=CC(C)C2)CCC1C)C(C)C.
What is the InChIKey of 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene?
The InChIKey is XUIKJSLGZSBFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-15(2)19(7)20(8)23(16(3)4)24-18(6)12-13-21-11-9-10-17(5)14-22(21)25-24/h9-10,15-18,24H,7,11-14H2,1-6,8H3.
What are the key properties of 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene?
4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene has a molecular weight of 342.57 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-3-(2,4,6-trimethyl-5-methylidenehept-3-en-3-yl)-2-oxabicyclo[5.5.0]dodeca-1(7),9-diene is sourced from PubChem (CID 123695075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).