2-hydroxydecyl N-tert-butylcarbamate

C15H31NO3 — CID 126503946

IUPAC2-hydroxydecyl N-tert-butylcarbamate
SMILESCCCCCCCCC(O)COC(=O)NC(C)(C)C
InChIInChI=1S/C15H31NO3/c1-5-6-7-8-9-10-11-13(17)12-19-14(18)16-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,18)
InChIKeyOHYCAYHJDPOFIQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.62
Rot. Bonds9

About 2-hydroxydecyl N-tert-butylcarbamate

2-hydroxydecyl N-tert-butylcarbamate (PubChem CID 126503946) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-hydroxydecyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-hydroxydecyl N-tert-butylcarbamate
PubChem CID126503946
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-hydroxydecyl N-tert-butylcarbamate
SMILESCCCCCCCCC(O)COC(=O)NC(C)(C)C
InChIInChI=1S/C15H31NO3/c1-5-6-7-8-9-10-11-13(17)12-19-14(18)16-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,18)
InChIKeyOHYCAYHJDPOFIQ-UHFFFAOYSA-N
XLogP3.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxydecyl N-tert-butylcarbamate?
The IUPAC name of 2-hydroxydecyl N-tert-butylcarbamate (CID 126503946) is 2-hydroxydecyl N-tert-butylcarbamate.
What is the SMILES notation for 2-hydroxydecyl N-tert-butylcarbamate?
The canonical SMILES for 2-hydroxydecyl N-tert-butylcarbamate is CCCCCCCCC(O)COC(=O)NC(C)(C)C.
What is the InChIKey of 2-hydroxydecyl N-tert-butylcarbamate?
The InChIKey is OHYCAYHJDPOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-5-6-7-8-9-10-11-13(17)12-19-14(18)16-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,18).
What are the key properties of 2-hydroxydecyl N-tert-butylcarbamate?
2-hydroxydecyl N-tert-butylcarbamate has a molecular weight of 273.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydecyl N-tert-butylcarbamate is sourced from PubChem (CID 126503946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).