3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane

C15H25BrO2Si — CID 10712525

IUPAC3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
SMILESC=C(Br)CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C15H25BrO2Si/c1-13(16)10-15(8-7-9-19(4,5)6)11-17-14(2,3)18-12-15/h1,8,10-12H2,2-6H3
InChIKeyMBBFUORNZQELDU-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.33
Rot. Bonds3

About 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane

3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane (PubChem CID 10712525) has the molecular formula C15H25BrO2Si and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
PubChem CID10712525
Molecular FormulaC15H25BrO2Si
Molecular Weight345.35 g/mol
Exact Mass344.08
IUPAC Name3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane
SMILESC=C(Br)CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C15H25BrO2Si/c1-13(16)10-15(8-7-9-19(4,5)6)11-17-14(2,3)18-12-15/h1,8,10-12H2,2-6H3
InChIKeyMBBFUORNZQELDU-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane (CID 10712525) is 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane is C=C(Br)CC1(CC#C[Si](C)(C)C)COC(C)(C)OC1.
What is the InChIKey of 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is MBBFUORNZQELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2Si/c1-13(16)10-15(8-7-9-19(4,5)6)11-17-14(2,3)18-12-15/h1,8,10-12H2,2-6H3.
What are the key properties of 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane?
3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 345.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromoprop-2-enyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 10712525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).