[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane

C13H24O2Si — CID 11149166

IUPAC[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
SMILESCOCO[C@@H]1C=C[C@@H](C/C=C/[Si](C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-14-11-15-13-8-7-12(10-13)6-5-9-16(2,3)4/h5,7-9,12-13H,6,10-11H2,1-4H3/b9-5+/t12-,13-/m1/s1
InChIKeyYNZXHHTXKKZIPU-UDHZEARHSA-N
MW240.42 g/mol
LogP3.38
Rot. Bonds6

About [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane

[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane (PubChem CID 11149166) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
PubChem CID11149166
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
SMILESCOCO[C@@H]1C=C[C@@H](C/C=C/[Si](C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-14-11-15-13-8-7-12(10-13)6-5-9-16(2,3)4/h5,7-9,12-13H,6,10-11H2,1-4H3/b9-5+/t12-,13-/m1/s1
InChIKeyYNZXHHTXKKZIPU-UDHZEARHSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12158796
methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate
CID 135047987
(1RS,4RS)-3-allyl-4-methyl-4-methoxymethoxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57042147
Tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 57103084
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
CID 149344152
tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
CID 149420818
3-(Methoxymethoxy)-6-methylcyclohexene
CID 168123049
3-[1-(Methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane
CID 173301989
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane
CID 11219335
2-[(3-Iodo-6,6-dimethylcyclohex-2-en-1-yl)oxymethoxy]ethyl-trimethylsilane
CID 44203972
tert-butyl-[(2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoxy]-dimethylsilane
CID 102283267
(3S,5S)-3-(methoxymethoxy)-5-prop-2-enylcyclopentene
CID 102463697

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane (CID 11149166) is [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane is COCO[C@@H]1C=C[C@@H](C/C=C/[Si](C)(C)C)C1.
What is the InChIKey of [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
The InChIKey is YNZXHHTXKKZIPU-UDHZEARHSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-14-11-15-13-8-7-12(10-13)6-5-9-16(2,3)4/h5,7-9,12-13H,6,10-11H2,1-4H3/b9-5+/t12-,13-/m1/s1.
What are the key properties of [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane is sourced from PubChem (CID 11149166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).