(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene

C16H24O — CID 134897895

IUPAC(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene
SMILESC=C1/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO1
InChIInChI=1S/C16H24O/c1-13-7-5-9-14(2)11-16(4)17-12-15(3)10-6-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10+
InChIKeyOGQYZDDJGNFUPF-NQJXNNKBSA-N
MW232.37 g/mol
LogP4.93
Rot. Bonds

About (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene

(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene (PubChem CID 134897895) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene.

Molecular Properties

Compound Name(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene
PubChem CID134897895
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene
SMILESC=C1/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO1
InChIInChI=1S/C16H24O/c1-13-7-5-9-14(2)11-16(4)17-12-15(3)10-6-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10+
InChIKeyOGQYZDDJGNFUPF-NQJXNNKBSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene with MolForge

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Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
Digeranyl ether
CID 6441535
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Farnesyl methyl ether
CID 5365855
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
3,7,11-Trimethyl-1-(3,7,11-trimethyl-dodeca-2,6,10-trienyloxy)-dodeca-2,6,10-triene
CID 9979928
(2E,6E,10E)-1-methoxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraene
CID 17915377
Npc133097
CID 5365842
(3E,5E,7R,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002078
(3Z,5E,7S,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002080

Frequently Asked Questions

What is the IUPAC name of (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene?
The IUPAC name of (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene (CID 134897895) is (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene.
What is the SMILES notation for (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene?
The canonical SMILES for (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene is C=C1/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO1.
What is the InChIKey of (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene?
The InChIKey is OGQYZDDJGNFUPF-NQJXNNKBSA-N. The full InChI is InChI=1S/C16H24O/c1-13-7-5-9-14(2)11-16(4)17-12-15(3)10-6-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10+.
What are the key properties of (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene?
(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene has a molecular weight of 232.37 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene is sourced from PubChem (CID 134897895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).