trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane

C25H47BOSi — CID 101480785

IUPACtrimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane
SMILESC=C=C[C@@H](CCCCC)[C@H](CCC)OB1C2CCCC(CCC2)C1[Si](C)(C)C
InChIInChI=1S/C25H47BOSi/c1-7-10-11-16-21(14-8-2)24(15-9-3)27-26-23-19-12-17-22(18-13-20-23)25(26)28(4,5)6/h14,21-25H,2,7,9-13,15-20H2,1,3-6H3/t21-,22?,23?,24-,25?/m0/s1
InChIKeyFSYZVMNCSRWNBZ-BPLIUSEHSA-N
MW402.55 g/mol
LogP8.30
Rot. Bonds11

About trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane

trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane (PubChem CID 101480785) has the molecular formula C25H47BOSi and a molecular weight of 402.55 g/mol. Its IUPAC name is trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane.

Molecular Properties

Compound Nametrimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane
PubChem CID101480785
Molecular FormulaC25H47BOSi
Molecular Weight402.55 g/mol
Exact Mass402.35
IUPAC Nametrimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane
SMILESC=C=C[C@@H](CCCCC)[C@H](CCC)OB1C2CCCC(CCC2)C1[Si](C)(C)C
InChIInChI=1S/C25H47BOSi/c1-7-10-11-16-21(14-8-2)24(15-9-3)27-26-23-19-12-17-22(18-13-20-23)25(26)28(4,5)6/h14,21-25H,2,7,9-13,15-20H2,1,3-6H3/t21-,22?,23?,24-,25?/m0/s1
InChIKeyFSYZVMNCSRWNBZ-BPLIUSEHSA-N
XLogP8.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane?
The IUPAC name of trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane (CID 101480785) is trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane.
What is the SMILES notation for trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane?
The canonical SMILES for trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane is C=C=C[C@@H](CCCCC)[C@H](CCC)OB1C2CCCC(CCC2)C1[Si](C)(C)C.
What is the InChIKey of trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane?
The InChIKey is FSYZVMNCSRWNBZ-BPLIUSEHSA-N. The full InChI is InChI=1S/C25H47BOSi/c1-7-10-11-16-21(14-8-2)24(15-9-3)27-26-23-19-12-17-22(18-13-20-23)25(26)28(4,5)6/h14,21-25H,2,7,9-13,15-20H2,1,3-6H3/t21-,22?,23?,24-,25?/m0/s1.
What are the key properties of trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane?
trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane has a molecular weight of 402.55 g/mol, XLogP of 8.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane is sourced from PubChem (CID 101480785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).