tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate

C17H33NO4 — CID 106507509

IUPACtert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
SMILESCCCC(CO)(CCC1CCCO1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO4/c1-5-9-17(13-19,10-8-14-7-6-11-21-14)12-18-15(20)22-16(2,3)4/h14,19H,5-13H2,1-4H3,(H,18,20)
InChIKeyODLWIGSPUFPZTM-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.25
Rot. Bonds8

About tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate

tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate (PubChem CID 106507509) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
PubChem CID106507509
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
SMILESCCCC(CO)(CCC1CCCO1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO4/c1-5-9-17(13-19,10-8-14-7-6-11-21-14)12-18-15(20)22-16(2,3)4/h14,19H,5-13H2,1-4H3,(H,18,20)
InChIKeyODLWIGSPUFPZTM-UHFFFAOYSA-N
XLogP3.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
CID 106507460
tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
CID 106508968
tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate
CID 106507449
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
tert-butyl N-[2-(2-ethylsulfanylethyl)-2-(hydroxymethyl)pentyl]carbamate
CID 106507524
tert-butyl N-[2-(hydroxymethyl)-5-methoxy-2-propylpentyl]carbamate
CID 106507473
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[4-ethyl-2-(hydroxymethyl)-2-propylhexyl]carbamate
CID 106507447
tert-butyl N-[5-ethylsulfanyl-2-(hydroxymethyl)-2-propylpentyl]carbamate
CID 106507472
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate (CID 106507509) is tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate is CCCC(CO)(CCC1CCCO1)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate?
The InChIKey is ODLWIGSPUFPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-5-9-17(13-19,10-8-14-7-6-11-21-14)12-18-15(20)22-16(2,3)4/h14,19H,5-13H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate has a molecular weight of 315.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate is sourced from PubChem (CID 106507509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).