CID 136834987

C16H27BSi — CID 136834987

IUPAC—
SMILESC=CCB(CC=C)/C([Si]C)=C(\CC=C)CCCC
InChIInChI=1S/C16H27BSi/c1-6-10-12-15(11-7-2)16(18-5)17(13-8-3)14-9-4/h7-9H,2-4,6,10-14H2,1,5H3/b16-15-
InChIKeyPPISRJYNXXZNRE-NXVVXOECSA-N
MW258.29 g/mol
LogP5.17
Rot. Bonds11

About CID 136834987

CID 136834987 (PubChem CID 136834987) has the molecular formula C16H27BSi and a molecular weight of 258.29 g/mol.

Molecular Properties

Compound NameCID 136834987
PubChem CID136834987
Molecular FormulaC16H27BSi
Molecular Weight258.29 g/mol
Exact Mass258.20
IUPAC Name—
SMILESC=CCB(CC=C)/C([Si]C)=C(\CC=C)CCCC
InChIInChI=1S/C16H27BSi/c1-6-10-12-15(11-7-2)16(18-5)17(13-8-3)14-9-4/h7-9H,2-4,6,10-14H2,1,5H3/b16-15-
InChIKeyPPISRJYNXXZNRE-NXVVXOECSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.29
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-5-but-3-en-2-yl-6-prop-2-enyldec-5-ene
CID 134993838
(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
CID 102258768
trimethyl-[(Z)-1-phenyl-2-prop-2-enylhex-1-enyl]silane
CID 102246919
(NZ)-N-non-1-en-4-ylidenehydroxylamine
CID 88738841
2-prop-2-enylidenehexanenitrile
CID 88965787
2-methylidenehexanenitrile;prop-2-enenitrile
CID 159125539
N-nonadec-1-en-4-ylidenehydroxylamine
CID 174804170
5,6-dibutyltetradec-5-ene
CID 19866346
[(1Z)-2-butyl-3-propan-2-ylidenehexa-1,5-dienyl]-trimethylsilane
CID 11172756
2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid
CID 173314680
ethenol;hexane
CID 22706833

Frequently Asked Questions

What is the IUPAC name of CID 136834987?
The IUPAC name of CID 136834987 (CID 136834987) is not available.
What is the SMILES notation for CID 136834987?
The canonical SMILES for CID 136834987 is C=CCB(CC=C)/C([Si]C)=C(\CC=C)CCCC.
What is the InChIKey of CID 136834987?
The InChIKey is PPISRJYNXXZNRE-NXVVXOECSA-N. The full InChI is InChI=1S/C16H27BSi/c1-6-10-12-15(11-7-2)16(18-5)17(13-8-3)14-9-4/h7-9H,2-4,6,10-14H2,1,5H3/b16-15-.
What are the key properties of CID 136834987?
CID 136834987 has a molecular weight of 258.29 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136834987 is sourced from PubChem (CID 136834987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).