(3E,5Z)-4-methoxydeca-1,3,5-triene

C11H18O — CID 143017983

IUPAC(3E,5Z)-4-methoxydeca-1,3,5-triene
SMILESC=C/C=C(\C=C/CCCC)OC
InChIInChI=1S/C11H18O/c1-4-6-7-8-10-11(12-3)9-5-2/h5,8-10H,2,4,6-7H2,1,3H3/b10-8-,11-9+
InChIKeyHPBJZJAYJFIION-PNQPDEHRSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds6

About (3E,5Z)-4-methoxydeca-1,3,5-triene

(3E,5Z)-4-methoxydeca-1,3,5-triene (PubChem CID 143017983) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E,5Z)-4-methoxydeca-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-methoxydeca-1,3,5-triene
PubChem CID143017983
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E,5Z)-4-methoxydeca-1,3,5-triene
SMILESC=C/C=C(\C=C/CCCC)OC
InChIInChI=1S/C11H18O/c1-4-6-7-8-10-11(12-3)9-5-2/h5,8-10H,2,4,6-7H2,1,3H3/b10-8-,11-9+
InChIKeyHPBJZJAYJFIION-PNQPDEHRSA-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

(3Z,5E)-5-methoxydeca-1,3,5-triene
CID 145391525
methyl (E)-hept-2-enoate
CID 5368087
1-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxyheptadecane
CID 142260212
methyl 2-methylideneoct-3-enoate
CID 174297773
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
(Z)-dec-5-ene;hex-1-ene
CID 141304086
hept-2-enoic acid;methyl 2-methylprop-2-enoate
CID 87141378
[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium
CID 101274924
hexadeca-1,7,11-triene
CID 174048514
1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
CID 46894337
triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium
CID 101274942
3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
CID 142164581

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-methoxydeca-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-methoxydeca-1,3,5-triene (CID 143017983) is (3E,5Z)-4-methoxydeca-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-methoxydeca-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-methoxydeca-1,3,5-triene is C=C/C=C(\C=C/CCCC)OC.
What is the InChIKey of (3E,5Z)-4-methoxydeca-1,3,5-triene?
The InChIKey is HPBJZJAYJFIION-PNQPDEHRSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-7-8-10-11(12-3)9-5-2/h5,8-10H,2,4,6-7H2,1,3H3/b10-8-,11-9+.
What are the key properties of (3E,5Z)-4-methoxydeca-1,3,5-triene?
(3E,5Z)-4-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 (3E,5Z)-4-methoxydeca-1,3,5-triene is sourced from PubChem (CID 143017983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).