CID 156681543

C15H26Br2O2Si — CID 156681543

IUPAC—
SMILESC=C(C)C(=O)OCCCCCCCCCC[Si]C(Br)Br
InChIInChI=1S/C15H26Br2O2Si/c1-13(2)14(18)19-11-9-7-5-3-4-6-8-10-12-20-15(16)17/h15H,1,3-12H2,2H3
InChIKeyPQIDPALDFSNRKB-UHFFFAOYSA-N
MW426.27 g/mol
LogP5.42
Rot. Bonds13

About CID 156681543

CID 156681543 (PubChem CID 156681543) has the molecular formula C15H26Br2O2Si and a molecular weight of 426.27 g/mol.

Molecular Properties

Compound NameCID 156681543
PubChem CID156681543
Molecular FormulaC15H26Br2O2Si
Molecular Weight426.27 g/mol
Exact Mass424.01
IUPAC Name—
SMILESC=C(C)C(=O)OCCCCCCCCCC[Si]C(Br)Br
InChIInChI=1S/C15H26Br2O2Si/c1-13(2)14(18)19-11-9-7-5-3-4-6-8-10-12-20-15(16)17/h15H,1,3-12H2,2H3
InChIKeyPQIDPALDFSNRKB-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.27
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 156681564
CID 156681564
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
10-phosphanyldecyl 2-methylprop-2-enoate
CID 174956599
10-bromodecyl 2-methylprop-2-enoate
CID 15153821
CID 156681524
CID 156681524
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of CID 156681543?
The IUPAC name of CID 156681543 (CID 156681543) is not available.
What is the SMILES notation for CID 156681543?
The canonical SMILES for CID 156681543 is C=C(C)C(=O)OCCCCCCCCCC[Si]C(Br)Br.
What is the InChIKey of CID 156681543?
The InChIKey is PQIDPALDFSNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Br2O2Si/c1-13(2)14(18)19-11-9-7-5-3-4-6-8-10-12-20-15(16)17/h15H,1,3-12H2,2H3.
What are the key properties of CID 156681543?
CID 156681543 has a molecular weight of 426.27 g/mol, XLogP of 5.42, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156681543 is sourced from PubChem (CID 156681543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).