trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane

C27H40Si2 — CID 15423861

IUPACtrimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane
SMILESCC(C)=C(C#CCCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C27H40Si2/c1-24(2)26(20-22-28(5,6)7)18-16-14-12-11-13-15-17-19-27(25(3)4)21-23-29(8,9)10/h11-15H2,1-10H3
InChIKeyPBFGKTVYNFSCLL-UHFFFAOYSA-N
MW420.79 g/mol
LogP7.38
Rot. Bonds4

About trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane

trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane (PubChem CID 15423861) has the molecular formula C27H40Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane.

Molecular Properties

Compound Nametrimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane
PubChem CID15423861
Molecular FormulaC27H40Si2
Molecular Weight420.79 g/mol
Exact Mass420.27
IUPAC Nametrimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane
SMILESCC(C)=C(C#CCCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C27H40Si2/c1-24(2)26(20-22-28(5,6)7)18-16-14-12-11-13-15-17-19-27(25(3)4)21-23-29(8,9)10/h11-15H2,1-10H3
InChIKeyPBFGKTVYNFSCLL-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 57.38
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1'-[3,4-Bis[2-(trimethylsilyl)ethynyl]-3-hexene-2,5-diyne-1,6-diyl]bis[1,1,1-trimethylsilane]
CID 11122510
[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
[4-Ethynyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14908282
1,6-Bis-(triisopropylsilyl)-3,4-bis[2-(triisopropylsilyl)ethynyl]-3-hexen-1,5-diyne
CID 2756755
[5,10-Di(propan-2-ylidene)-14-tri(propan-2-yl)silyltetradeca-1,3,6,8,11,13-hexaynyl]-tri(propan-2-yl)silane
CID 11017218
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11373977
Trimethyl-[10-trimethylsilyl-5,6-bis(4-trimethylsilylbuta-1,3-diynyl)dec-5-en-1,3,7,9-tetraynyl]silane
CID 12124859
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
CID 15196660
2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane
CID 15196661
[1,8-Bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane
CID 15536971

Frequently Asked Questions

What is the IUPAC name of trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane?
The IUPAC name of trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane (CID 15423861) is trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane.
What is the SMILES notation for trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane?
The canonical SMILES for trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane is CC(C)=C(C#CCCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane?
The InChIKey is PBFGKTVYNFSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40Si2/c1-24(2)26(20-22-28(5,6)7)18-16-14-12-11-13-15-17-19-27(25(3)4)21-23-29(8,9)10/h11-15H2,1-10H3.
What are the key properties of trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane?
trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane has a molecular weight of 420.79 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane is sourced from PubChem (CID 15423861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).