(3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene

C16H24O — CID 89206278

IUPAC(3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene
SMILESC=C/C=C(\C=C/CC(C)(/C=C\C)CC=C)OC
InChIInChI=1S/C16H24O/c1-6-10-15(17-5)11-9-14-16(4,12-7-2)13-8-3/h6-11,13H,1-2,12,14H2,3-5H3/b11-9-,13-8-,15-10+
InChIKeyMWKBLXHCIMJYJS-UWNIGNCTSA-N
MW232.37 g/mol
LogP4.81
Rot. Bonds8

About (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene

(3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene (PubChem CID 89206278) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene
PubChem CID89206278
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene
SMILESC=C/C=C(\C=C/CC(C)(/C=C\C)CC=C)OC
InChIInChI=1S/C16H24O/c1-6-10-15(17-5)11-9-14-16(4,12-7-2)13-8-3/h6-11,13H,1-2,12,14H2,3-5H3/b11-9-,13-8-,15-10+
InChIKeyMWKBLXHCIMJYJS-UWNIGNCTSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene?
The IUPAC name of (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene (CID 89206278) is (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene.
What is the SMILES notation for (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene?
The canonical SMILES for (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene is C=C/C=C(\C=C/CC(C)(/C=C\C)CC=C)OC.
What is the InChIKey of (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene?
The InChIKey is MWKBLXHCIMJYJS-UWNIGNCTSA-N. The full InChI is InChI=1S/C16H24O/c1-6-10-15(17-5)11-9-14-16(4,12-7-2)13-8-3/h6-11,13H,1-2,12,14H2,3-5H3/b11-9-,13-8-,15-10+.
What are the key properties of (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene?
(3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene has a molecular weight of 232.37 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,9Z)-4-methoxy-8-methyl-8-prop-2-enylundeca-1,3,5,9-tetraene is sourced from PubChem (CID 89206278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).