propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate

C10H19NO4 — CID 106297224

IUPACpropan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(13)11-10(7-12)3-5-14-6-4-10/h8,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyLXGIJYYPPIDZHH-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.66
Rot. Bonds3

About propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate

propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (PubChem CID 106297224) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
PubChem CID106297224
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepropan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(13)11-10(7-12)3-5-14-6-4-10/h8,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyLXGIJYYPPIDZHH-UHFFFAOYSA-N
XLogP0.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 67114425
tert-butyl N-[3-(2-fluoro-1-hydroxyethyl)oxolan-3-yl]carbamate
CID 165663770
[4-(2-hydroxyethyl)tetrahydro-2H-pyran-4-yl]carbamic acid tert-butyl ester
CID 67123391
[4-(Hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
[4-(Methoxymethyl)oxan-4-yl]carbamic acid
CID 68807128
Tert-butyl 1-(hydroxymethyl)-3-methoxycyclobutylcarbamate
CID 69927702
[4-(1-Hydroxyethyl)oxan-4-yl]carbamic acid
CID 70662666
tert-butyl N-[3-butoxy-1-(hydroxymethyl)cyclobutyl]carbamate
CID 90323048
tert-butyl[4-(methoxymethyl)tetrahydro-2H-pyran-4-yl]carbamate
CID 90902949
[(3R,4S)-4-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123515696
[4-[(2-Methylpropan-2-yl)oxycarbonylamino]oxan-4-yl]methyl formate
CID 123606669
[4-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123763164

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (CID 106297224) is propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is CC(C)OC(=O)NC1(CO)CCOCC1.
What is the InChIKey of propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The InChIKey is LXGIJYYPPIDZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)15-9(13)11-10(7-12)3-5-14-6-4-10/h8,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 106297224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).