(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol

C14H24O3 — CID 135010424

IUPAC(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol
SMILESCOCOCCC/C=C/C/C=C/C/C=C/CO
InChIInChI=1S/C14H24O3/c1-16-14-17-13-11-9-7-5-3-2-4-6-8-10-12-15/h2,4-5,7-8,10,15H,3,6,9,11-14H2,1H3/b4-2+,7-5+,10-8+
InChIKeyWEAQQXOQIFEIQC-NKFOZZFOSA-N
MW240.34 g/mol
LogP2.83
Rot. Bonds11

About (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol

(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol (PubChem CID 135010424) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol.

Molecular Properties

Compound Name(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol
PubChem CID135010424
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol
SMILESCOCOCCC/C=C/C/C=C/C/C=C/CO
InChIInChI=1S/C14H24O3/c1-16-14-17-13-11-9-7-5-3-2-4-6-8-10-12-15/h2,4-5,7-8,10,15H,3,6,9,11-14H2,1H3/b4-2+,7-5+,10-8+
InChIKeyWEAQQXOQIFEIQC-NKFOZZFOSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
(E)-5-(methoxymethoxy)pent-2-en-1-ol
CID 89805300
(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
CID 102077684
(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
CID 102297137
(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene
CID 134860101
(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol
CID 134874379
(E)-6-(methoxymethoxy)hex-2-en-1-ol
CID 135010347
(r,e)-7-(Methoxymethoxy)oct-2-ene-1-ol
CID 155294637
10,10-Dimethoxy-3,7-dimethyl-deca-2,6-dien-1-ol
CID 5366901
(E)-3-(methoxymethoxy)hex-4-en-1-ol
CID 10419470
(Z)-6-(methoxymethoxy)hex-4-en-1-ol
CID 10511158

Frequently Asked Questions

What is the IUPAC name of (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol?
The IUPAC name of (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol (CID 135010424) is (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol.
What is the SMILES notation for (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol?
The canonical SMILES for (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol is COCOCCC/C=C/C/C=C/C/C=C/CO.
What is the InChIKey of (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol?
The InChIKey is WEAQQXOQIFEIQC-NKFOZZFOSA-N. The full InChI is InChI=1S/C14H24O3/c1-16-14-17-13-11-9-7-5-3-2-4-6-8-10-12-15/h2,4-5,7-8,10,15H,3,6,9,11-14H2,1H3/b4-2+,7-5+,10-8+.
What are the key properties of (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol?
(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol is sourced from PubChem (CID 135010424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).