tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane

C26H49BO3Si — CID 71507480

IUPACtert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane
SMILESC=CCC[C@H](CC(B1OC(C)(C)C(C)(C)O1)/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C26H49BO3Si/c1-14-15-16-22(20(2)3)19-23(27-29-25(8,9)26(10,11)30-27)21(4)17-18-28-31(12,13)24(5,6)7/h14,17,22-23H,1-2,15-16,18-19H2,3-13H3/b21-17+/t22-,23?/m1/s1
InChIKeyOAIQUJNNIOYODE-BZAWAROLSA-N
MW448.57 g/mol
LogP7.97
Rot. Bonds11

About tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane

tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane (PubChem CID 71507480) has the molecular formula C26H49BO3Si and a molecular weight of 448.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane
PubChem CID71507480
Molecular FormulaC26H49BO3Si
Molecular Weight448.57 g/mol
Exact Mass448.35
IUPAC Nametert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane
SMILESC=CCC[C@H](CC(B1OC(C)(C)C(C)(C)O1)/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C26H49BO3Si/c1-14-15-16-22(20(2)3)19-23(27-29-25(8,9)26(10,11)30-27)21(4)17-18-28-31(12,13)24(5,6)7/h14,17,22-23H,1-2,15-16,18-19H2,3-13H3/b21-17+/t22-,23?/m1/s1
InChIKeyOAIQUJNNIOYODE-BZAWAROLSA-N
XLogP7.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane (CID 71507480) is tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane is C=CCC[C@H](CC(B1OC(C)(C)C(C)(C)O1)/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane?
The InChIKey is OAIQUJNNIOYODE-BZAWAROLSA-N. The full InChI is InChI=1S/C26H49BO3Si/c1-14-15-16-22(20(2)3)19-23(27-29-25(8,9)26(10,11)30-27)21(4)17-18-28-31(12,13)24(5,6)7/h14,17,22-23H,1-2,15-16,18-19H2,3-13H3/b21-17+/t22-,23?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane?
tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane has a molecular weight of 448.57 g/mol, XLogP of 7.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,6R)-3-methyl-6-prop-1-en-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-2,9-dienoxy]silane is sourced from PubChem (CID 71507480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).