tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate

C17H33NO4 — CID 106507460

IUPACtert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
SMILESCCCC(CO)(CNC(=O)OC(C)(C)C)CC1CCC(C)O1
InChIInChI=1S/C17H33NO4/c1-6-9-17(12-19,10-14-8-7-13(2)21-14)11-18-15(20)22-16(3,4)5/h13-14,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyGHPYYBBMUSHRCF-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.25
Rot. Bonds7

About tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate

tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate (PubChem CID 106507460) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
PubChem CID106507460
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
SMILESCCCC(CO)(CNC(=O)OC(C)(C)C)CC1CCC(C)O1
InChIInChI=1S/C17H33NO4/c1-6-9-17(12-19,10-14-8-7-13(2)21-14)11-18-15(20)22-16(3,4)5/h13-14,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyGHPYYBBMUSHRCF-UHFFFAOYSA-N
XLogP3.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
CID 106507509
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate
CID 106508190
tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate
CID 106507449
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-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylsulfanylpentyl]carbamate
CID 106508227
tert-butyl N-[2-(hydroxymethyl)-5-methoxy-2-propylpentyl]carbamate
CID 106507473
tert-butyl N-[2-(2-ethylsulfanylethyl)-2-(hydroxymethyl)pentyl]carbamate
CID 106507524
tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
CID 106508878
tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
CID 107247044
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
tert-butyl N-[5-ethylsulfanyl-2-(hydroxymethyl)-2-propylpentyl]carbamate
CID 106507472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate (CID 106507460) is tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate is CCCC(CO)(CNC(=O)OC(C)(C)C)CC1CCC(C)O1.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate?
The InChIKey is GHPYYBBMUSHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-6-9-17(12-19,10-14-8-7-13(2)21-14)11-18-15(20)22-16(3,4)5/h13-14,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate has a molecular weight of 315.45 g/mol, XLogP of 3.25, 7 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-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate is sourced from PubChem (CID 106507460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).