[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane

C13H28O2Si — CID 10681768

IUPAC[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane
SMILESCC[C@@H](OCOC)[C@H](C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-13(15-11-14-3)12(2)9-8-10-16(4,5)6/h8,10,12-13H,7,9,11H2,1-6H3/b10-8+/t12-,13-/m1/s1
InChIKeyCERAQJQTATYFIS-AXCOZDIOSA-N
MW244.45 g/mol
LogP3.85
Rot. Bonds8

About [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane

[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane (PubChem CID 10681768) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane
PubChem CID10681768
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane
SMILESCC[C@@H](OCOC)[C@H](C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-13(15-11-14-3)12(2)9-8-10-16(4,5)6/h8,10,12-13H,7,9,11H2,1-6H3/b10-8+/t12-,13-/m1/s1
InChIKeyCERAQJQTATYFIS-AXCOZDIOSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane?
The IUPAC name of [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane (CID 10681768) is [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane is CC[C@@H](OCOC)[C@H](C)C/C=C/[Si](C)(C)C.
What is the InChIKey of [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane?
The InChIKey is CERAQJQTATYFIS-AXCOZDIOSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-13(15-11-14-3)12(2)9-8-10-16(4,5)6/h8,10,12-13H,7,9,11H2,1-6H3/b10-8+/t12-,13-/m1/s1.
What are the key properties of [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane?
[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane is sourced from PubChem (CID 10681768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).