trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane

C10H21BOSi — CID 134979081

IUPACtrimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane
SMILESC=CCOB1CCC[C@H]1[Si](C)(C)C
InChIInChI=1S/C10H21BOSi/c1-5-9-12-11-8-6-7-10(11)13(2,3)4/h5,10H,1,6-9H2,2-4H3/t10-/m1/s1
InChIKeyOPOFLDPVPOBAMU-SNVBAGLBSA-N
MW196.17 g/mol
LogP3.22
Rot. Bonds4

About trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane

trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane (PubChem CID 134979081) has the molecular formula C10H21BOSi and a molecular weight of 196.17 g/mol. Its IUPAC name is trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane
PubChem CID134979081
Molecular FormulaC10H21BOSi
Molecular Weight196.17 g/mol
Exact Mass196.15
IUPAC Nametrimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane
SMILESC=CCOB1CCC[C@H]1[Si](C)(C)C
InChIInChI=1S/C10H21BOSi/c1-5-9-12-11-8-6-7-10(11)13(2,3)4/h5,10H,1,6-9H2,2-4H3/t10-/m1/s1
InChIKeyOPOFLDPVPOBAMU-SNVBAGLBSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 53.22
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane?
The IUPAC name of trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane (CID 134979081) is trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane.
What is the SMILES notation for trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane?
The canonical SMILES for trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane is C=CCOB1CCC[C@H]1[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane?
The InChIKey is OPOFLDPVPOBAMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21BOSi/c1-5-9-12-11-8-6-7-10(11)13(2,3)4/h5,10H,1,6-9H2,2-4H3/t10-/m1/s1.
What are the key properties of trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane?
trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane has a molecular weight of 196.17 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S)-1-prop-2-enoxyborolan-2-yl]silane is sourced from PubChem (CID 134979081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).