(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene

C13H22O3 — CID 138511621

IUPAC(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene
SMILESC=C/C(OC)=C(\C=C\CCCCOC)OC
InChIInChI=1S/C13H22O3/c1-5-12(15-3)13(16-4)10-8-6-7-9-11-14-2/h5,8,10H,1,6-7,9,11H2,2-4H3/b10-8+,13-12-
InChIKeyQPVMZZDWMLUWGT-SMEYHRCOSA-N
MW226.32 g/mol
LogP3.05
Rot. Bonds9

About (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene

(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene (PubChem CID 138511621) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene
PubChem CID138511621
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene
SMILESC=C/C(OC)=C(\C=C\CCCCOC)OC
InChIInChI=1S/C13H22O3/c1-5-12(15-3)13(16-4)10-8-6-7-9-11-14-2/h5,8,10H,1,6-7,9,11H2,2-4H3/b10-8+,13-12-
InChIKeyQPVMZZDWMLUWGT-SMEYHRCOSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid
CID 90787861
(E)-1-chloro-1,1-difluoro-12-methoxydodec-2-ene
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4-methoxybutyl prop-2-enoate
CID 22321356
methyl (2E)-8-methylidenedeca-2,9-dienoate
CID 23727495
1,1-difluoro-6-methoxyhex-1-ene
CID 91005146
ethoxy(6-methoxyhex-1-enyl)borinic acid
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CID 117267279

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene (CID 138511621) is (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene is C=C/C(OC)=C(\C=C\CCCCOC)OC.
What is the InChIKey of (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene?
The InChIKey is QPVMZZDWMLUWGT-SMEYHRCOSA-N. The full InChI is InChI=1S/C13H22O3/c1-5-12(15-3)13(16-4)10-8-6-7-9-11-14-2/h5,8,10H,1,6-7,9,11H2,2-4H3/b10-8+,13-12-.
What are the key properties of (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene?
(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene has a molecular weight of 226.32 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene is sourced from PubChem (CID 138511621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).