[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane

C12H20OSi — CID 11333265

IUPAC[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane
SMILESC=CC(/C=C(\C)C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H20OSi/c1-7-12(13-3)10-11(2)8-9-14(4,5)6/h7,10,12H,1H2,2-6H3/b11-10+
InChIKeyNFWLDGZRIWQSGB-ZHACJKMWSA-N
MW208.38 g/mol
LogP3.01
Rot. Bonds3

About [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane

[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane (PubChem CID 11333265) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane
PubChem CID11333265
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane
SMILESC=CC(/C=C(\C)C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H20OSi/c1-7-12(13-3)10-11(2)8-9-14(4,5)6/h7,10,12H,1H2,2-6H3/b11-10+
InChIKeyNFWLDGZRIWQSGB-ZHACJKMWSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-ethenoxyhex-4-en-1-ynyl]-trimethylsilane
CID 11229338
tert-butyl-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane
CID 101393439
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
[(E)-4-methoxy-6-trimethylsilylhex-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890060
[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890126
(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine
CID 135000046
[(E)-4-methoxynon-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 135046086
7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine
CID 135063199
Tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane
CID 135076800
tert-butyl-[(Z)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 135085788

Frequently Asked Questions

What is the IUPAC name of [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane (CID 11333265) is [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane is C=CC(/C=C(\C)C#C[Si](C)(C)C)OC.
What is the InChIKey of [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane?
The InChIKey is NFWLDGZRIWQSGB-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H20OSi/c1-7-12(13-3)10-11(2)8-9-14(4,5)6/h7,10,12H,1H2,2-6H3/b11-10+.
What are the key properties of [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane?
[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11333265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).