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

C11H21NO4 — CID 106298579

IUPAC2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)COC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-9(2)7-16-10(14)12-11(8-13)3-5-15-6-4-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyVJPUWRUGWONHDO-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.91
Rot. Bonds4

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

2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (PubChem CID 106298579) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
PubChem CID106298579
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)COC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-9(2)7-16-10(14)12-11(8-13)3-5-15-6-4-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyVJPUWRUGWONHDO-UHFFFAOYSA-N
XLogP0.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.91
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
[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
[4-(1-Hydroxyethyl)oxan-4-yl]carbamic acid
CID 70662666
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-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123763164
[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate
CID 123894915
tert-butyl N-[4-[cyano(hydroxy)methyl]oxan-4-yl]carbamate
CID 141725593
tert-butyl N-[4-[cyano(hydroxy)methyl]oxan-4-yl]carbamate;ethane
CID 145422521
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate;ethyl carbonochloridate
CID 157739384

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (CID 106298579) is 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is CC(C)COC(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The InChIKey is VJPUWRUGWONHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(2)7-16-10(14)12-11(8-13)3-5-15-6-4-11/h9,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 106298579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).