[(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane

C12H23BO2Si — CID 168948880

IUPAC[(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/CB1OC2CCCCC2O1
InChIInChI=1S/C12H23BO2Si/c1-16(2,3)10-6-9-13-14-11-7-4-5-8-12(11)15-13/h6,10-12H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyPELWKERVKXGMIV-UXBLZVDNSA-N
MW238.21 g/mol
LogP3.27
Rot. Bonds3

About [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane

[(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane (PubChem CID 168948880) has the molecular formula C12H23BO2Si and a molecular weight of 238.21 g/mol. Its IUPAC name is [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane
PubChem CID168948880
Molecular FormulaC12H23BO2Si
Molecular Weight238.21 g/mol
Exact Mass238.16
IUPAC Name[(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/CB1OC2CCCCC2O1
InChIInChI=1S/C12H23BO2Si/c1-16(2,3)10-6-9-13-14-11-7-4-5-8-12(11)15-13/h6,10-12H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyPELWKERVKXGMIV-UXBLZVDNSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-trimethylsilane
CID 168948884
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-ylmethanamine
CID 142413047
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-ylmethylazanium;2-methylpropane;propane
CID 142418318
lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
CID 160571133
cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one
CID 71412248
(3aS,6aR)-2-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
CID 156682327
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(2S,3S,4aS,8aS)-2,3-dimethyl-2,3-bis(prop-2-enyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine
CID 11322682
trimethyl-[(1E)-penta-1,4-dienyl]silane
CID 12533407
dimethyl-[(E)-3-trimethylsilylprop-2-enyl]sulfanium
CID 11107926
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane
CID 13347667

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane (CID 168948880) is [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane is C[Si](C)(C)/C=C/CB1OC2CCCCC2O1.
What is the InChIKey of [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane?
The InChIKey is PELWKERVKXGMIV-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H23BO2Si/c1-16(2,3)10-6-9-13-14-11-7-4-5-8-12(11)15-13/h6,10-12H,4-5,7-9H2,1-3H3/b10-6+.
What are the key properties of [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane?
[(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane has a molecular weight of 238.21 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborol-2-yl)prop-1-enyl]-trimethylsilane is sourced from PubChem (CID 168948880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).