(3Z,5E)-5-methoxydeca-1,3,5-triene

C11H18O — CID 145391525

IUPAC(3Z,5E)-5-methoxydeca-1,3,5-triene
SMILESC=C/C=C\C(=C/CCCC)OC
InChIInChI=1S/C11H18O/c1-4-6-8-10-11(12-3)9-7-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7-,11-10+
InChIKeyWZVSFDRQOGLDOH-NKTIYDDZSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds6

About (3Z,5E)-5-methoxydeca-1,3,5-triene

(3Z,5E)-5-methoxydeca-1,3,5-triene (PubChem CID 145391525) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3Z,5E)-5-methoxydeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-methoxydeca-1,3,5-triene
PubChem CID145391525
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3Z,5E)-5-methoxydeca-1,3,5-triene
SMILESC=C/C=C\C(=C/CCCC)OC
InChIInChI=1S/C11H18O/c1-4-6-8-10-11(12-3)9-7-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7-,11-10+
InChIKeyWZVSFDRQOGLDOH-NKTIYDDZSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
(Z)-2-methoxyhept-2-ene
CID 21160203
(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene
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(3E,5Z)-2-chloro-4-methoxyocta-1,3,5,7-tetraene
CID 89328698
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene
CID 89066005
formic acid;(3Z)-5-methylidenenona-1,3-diene
CID 143779048
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
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(E)-4-methoxydec-4-ene
CID 134864544
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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-methoxydeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-methoxydeca-1,3,5-triene (CID 145391525) is (3Z,5E)-5-methoxydeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-methoxydeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-methoxydeca-1,3,5-triene is C=C/C=C\C(=C/CCCC)OC.
What is the InChIKey of (3Z,5E)-5-methoxydeca-1,3,5-triene?
The InChIKey is WZVSFDRQOGLDOH-NKTIYDDZSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-8-10-11(12-3)9-7-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7-,11-10+.
What are the key properties of (3Z,5E)-5-methoxydeca-1,3,5-triene?
(3Z,5E)-5-methoxydeca-1,3,5-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxydeca-1,3,5-triene is sourced from PubChem (CID 145391525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).