CID 156681524

C18H32Br2O2Si — CID 156681524

IUPAC—
SMILESC=CC(=O)OCCCCCCCCCCCCCC[Si]C(Br)Br
InChIInChI=1S/C18H32Br2O2Si/c1-2-17(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-18(19)20/h2,18H,1,3-16H2
InChIKeyOINAPAIUJPCWKQ-UHFFFAOYSA-N
MW468.35 g/mol
LogP6.59
Rot. Bonds17

About CID 156681524

CID 156681524 (PubChem CID 156681524) has the molecular formula C18H32Br2O2Si and a molecular weight of 468.35 g/mol.

Molecular Properties

Compound NameCID 156681524
PubChem CID156681524
Molecular FormulaC18H32Br2O2Si
Molecular Weight468.35 g/mol
Exact Mass466.05
IUPAC Name—
SMILESC=CC(=O)OCCCCCCCCCCCCCC[Si]C(Br)Br
InChIInChI=1S/C18H32Br2O2Si/c1-2-17(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-18(19)20/h2,18H,1,3-16H2
InChIKeyOINAPAIUJPCWKQ-UHFFFAOYSA-N
XLogP6.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 56.59
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 156681384
CID 156681384
CID 156681365
CID 156681365
CID 156681244
CID 156681244
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
CID 156681543
CID 156681543
CID 168864235
CID 168864235
CID 136825678
CID 136825678
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
12-hydroxydodecyl prop-2-enoate
CID 19859974

Frequently Asked Questions

What is the IUPAC name of CID 156681524?
The IUPAC name of CID 156681524 (CID 156681524) is not available.
What is the SMILES notation for CID 156681524?
The canonical SMILES for CID 156681524 is C=CC(=O)OCCCCCCCCCCCCCC[Si]C(Br)Br.
What is the InChIKey of CID 156681524?
The InChIKey is OINAPAIUJPCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Br2O2Si/c1-2-17(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-18(19)20/h2,18H,1,3-16H2.
What are the key properties of CID 156681524?
CID 156681524 has a molecular weight of 468.35 g/mol, XLogP of 6.59, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156681524 is sourced from PubChem (CID 156681524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).