methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate

C11H23NO3Si — CID 10966790

IUPACmethyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate
SMILESC=CCC(CO)N(C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C11H23NO3Si/c1-6-7-10(8-13)12(11(14)15-2)9-16(3,4)5/h6,10,13H,1,7-9H2,2-5H3
InChIKeyGKCDSHCIXKLFPF-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.87
Rot. Bonds6

About methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate

methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate (PubChem CID 10966790) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate
PubChem CID10966790
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Namemethyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate
SMILESC=CCC(CO)N(C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C11H23NO3Si/c1-6-7-10(8-13)12(11(14)15-2)9-16(3,4)5/h6,10,13H,1,7-9H2,2-5H3
InChIKeyGKCDSHCIXKLFPF-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate?
The IUPAC name of methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate (CID 10966790) is methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate.
What is the SMILES notation for methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate?
The canonical SMILES for methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate is C=CCC(CO)N(C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate?
The InChIKey is GKCDSHCIXKLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-6-7-10(8-13)12(11(14)15-2)9-16(3,4)5/h6,10,13H,1,7-9H2,2-5H3.
What are the key properties of methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate?
methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate has a molecular weight of 245.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate is sourced from PubChem (CID 10966790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).