octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate

C18H36O2Si — CID 174838789

IUPACoctyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate
SMILESCCCCCCCCOC(=O)C(C)=C[SiH](C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-20-18(19)17(6)14-21(15(2)3)16(4)5/h14-16,21H,7-13H2,1-6H3
InChIKeyXOIJZRZQOVRFSN-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.42
Rot. Bonds11

About octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate

octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate (PubChem CID 174838789) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate.

Molecular Properties

Compound Nameoctyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate
PubChem CID174838789
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nameoctyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate
SMILESCCCCCCCCOC(=O)C(C)=C[SiH](C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-20-18(19)17(6)14-21(15(2)3)16(4)5/h14-16,21H,7-13H2,1-6H3
InChIKeyXOIJZRZQOVRFSN-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hexyl 3-dimethylsilyl-2-methylprop-2-enoate
CID 174714352
undecyl (E)-2-methylbut-2-enoate
CID 91701896
hexadecyl 2,4-dimethyltetradec-2-enoate
CID 174832460
dodecyl 2-methylhenicos-2-enoate
CID 57172953
4-icosoxy-3-methyl-4-oxobut-2-enoic acid
CID 54033300
nonyl 2-methylnon-2-enoate
CID 175301846
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
heptyl 2-methylhexadec-2-enoate
CID 174820936
ditridecyl oxalate
CID 18377796
dodecyl 4,6-dihydroxy-2-methylhept-2-enoate
CID 123467670

Frequently Asked Questions

What is the IUPAC name of octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate?
The IUPAC name of octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate (CID 174838789) is octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate.
What is the SMILES notation for octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate?
The canonical SMILES for octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate is CCCCCCCCOC(=O)C(C)=C[SiH](C(C)C)C(C)C.
What is the InChIKey of octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate?
The InChIKey is XOIJZRZQOVRFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-20-18(19)17(6)14-21(15(2)3)16(4)5/h14-16,21H,7-13H2,1-6H3.
What are the key properties of octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate?
octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate has a molecular weight of 312.57 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate is sourced from PubChem (CID 174838789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).