trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane

C21H39BSi — CID 101480783

IUPACtrimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane
SMILESC=C(/C=C/CCCCC)B1C2CCCC(CCC2)C1[Si](C)(C)C
InChIInChI=1S/C21H39BSi/c1-6-7-8-9-10-13-18(2)22-20-16-11-14-19(15-12-17-20)21(22)23(3,4)5/h10,13,19-21H,2,6-9,11-12,14-17H2,1,3-5H3/b13-10+
InChIKeyWQOLSGDIFAWMTI-JLHYYAGUSA-N
MW330.44 g/mol
LogP7.31
Rot. Bonds7

About trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane

trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane (PubChem CID 101480783) has the molecular formula C21H39BSi and a molecular weight of 330.44 g/mol. Its IUPAC name is trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane.

Molecular Properties

Compound Nametrimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane
PubChem CID101480783
Molecular FormulaC21H39BSi
Molecular Weight330.44 g/mol
Exact Mass330.29
IUPAC Nametrimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane
SMILESC=C(/C=C/CCCCC)B1C2CCCC(CCC2)C1[Si](C)(C)C
InChIInChI=1S/C21H39BSi/c1-6-7-8-9-10-13-18(2)22-20-16-11-14-19(15-12-17-20)21(22)23(3,4)5/h10,13,19-21H,2,6-9,11-12,14-17H2,1,3-5H3/b13-10+
InChIKeyWQOLSGDIFAWMTI-JLHYYAGUSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3E)-nona-1,3-dien-2-yl]cyclohexane
CID 170590627
(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane
CID 102256589
9-[(Z)-1-bromooct-1-enyl]-9-borabicyclo[3.3.1]nonane
CID 14571418
trimethyl-[9-[(4S,5R)-5-propa-1,2-dienyldecan-4-yl]oxy-9-borabicyclo[3.3.2]decan-10-yl]silane
CID 101480785
(3E)-2-bromonona-1,3-diene
CID 10512335
(E)-7-[(1S,2S)-2-octylcyclopentyl]hept-2-enamide;propan-1-amine
CID 172785883
(E)-6-methylidenetetradec-7-ene
CID 101198488
(E)-1-cyclohexylnon-2-en-1-one
CID 101268204
2-butyldeca-1,3-dienyl(trimethyl)silane
CID 141047468
(Z)-7-methylidenedodec-5-en-1-ol
CID 59925998
(E)-nonadec-4-en-1-ol
CID 87881885
7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
CID 57259279

Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane?
The IUPAC name of trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane (CID 101480783) is trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane.
What is the SMILES notation for trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane?
The canonical SMILES for trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane is C=C(/C=C/CCCCC)B1C2CCCC(CCC2)C1[Si](C)(C)C.
What is the InChIKey of trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane?
The InChIKey is WQOLSGDIFAWMTI-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H39BSi/c1-6-7-8-9-10-13-18(2)22-20-16-11-14-19(15-12-17-20)21(22)23(3,4)5/h10,13,19-21H,2,6-9,11-12,14-17H2,1,3-5H3/b13-10+.
What are the key properties of trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane?
trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane has a molecular weight of 330.44 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-[(3E)-nona-1,3-dien-2-yl]-9-borabicyclo[3.3.2]decan-10-yl]silane is sourced from PubChem (CID 101480783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).