3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane

C13H22O2Si — CID 173301989

IUPAC3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane
SMILESCOCOC1(CC#C[Si](C)(C)C)C=CCC1
InChIInChI=1S/C13H22O2Si/c1-14-12-15-13(8-5-6-9-13)10-7-11-16(2,3)4/h5,8H,6,9-10,12H2,1-4H3
InChIKeyQCEOKWOBIGWCNS-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.97
Rot. Bonds4

About 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane

3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane (PubChem CID 173301989) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane
PubChem CID173301989
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane
SMILESCOCOC1(CC#C[Si](C)(C)C)C=CCC1
InChIInChI=1S/C13H22O2Si/c1-14-12-15-13(8-5-6-9-13)10-7-11-16(2,3)4/h5,8H,6,9-10,12H2,1-4H3
InChIKeyQCEOKWOBIGWCNS-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.97
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane (CID 173301989) is 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane is COCOC1(CC#C[Si](C)(C)C)C=CCC1.
What is the InChIKey of 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is QCEOKWOBIGWCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-14-12-15-13(8-5-6-9-13)10-7-11-16(2,3)4/h5,8H,6,9-10,12H2,1-4H3.
What are the key properties of 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane?
3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 238.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 173301989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).