(5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol

C14H26O5Si — CID 10040618

IUPAC(5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol
SMILESC=C=C(OCOC)C(C)(O)/C(OC)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C14H26O5Si/c1-9-12(18-10-16-4)14(3,15)13(17-5)11(2)19-20(6,7)8/h15H,1,10H2,2-8H3/b13-11+
InChIKeyKMQXJRXLBBLTMC-ACCUITESSA-N
MW302.44 g/mol
LogP2.76
Rot. Bonds8

About (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol

(5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol (PubChem CID 10040618) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol.

Molecular Properties

Compound Name(5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol
PubChem CID10040618
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol
SMILESC=C=C(OCOC)C(C)(O)/C(OC)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C14H26O5Si/c1-9-12(18-10-16-4)14(3,15)13(17-5)11(2)19-20(6,7)8/h15H,1,10H2,2-8H3/b13-11+
InChIKeyKMQXJRXLBBLTMC-ACCUITESSA-N
XLogP2.76
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol?
The IUPAC name of (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol (CID 10040618) is (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol.
What is the SMILES notation for (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol?
The canonical SMILES for (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol is C=C=C(OCOC)C(C)(O)/C(OC)=C(/C)O[Si](C)(C)C.
What is the InChIKey of (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol?
The InChIKey is KMQXJRXLBBLTMC-ACCUITESSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-9-12(18-10-16-4)14(3,15)13(17-5)11(2)19-20(6,7)8/h15H,1,10H2,2-8H3/b13-11+.
What are the key properties of (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol?
(5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol has a molecular weight of 302.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methoxy-3-(methoxymethoxy)-4-methyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol is sourced from PubChem (CID 10040618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).