methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate

C8H15NO4 — CID 104630660

IUPACmethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCOC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C8H15NO4/c1-12-7(11)9-8(6-10)2-4-13-5-3-8/h10H,2-6H2,1H3,(H,9,11)
InChIKeyAEALNZLQKYCYJB-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.12
Rot. Bonds2

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

methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (PubChem CID 104630660) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
PubChem CID104630660
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCOC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C8H15NO4/c1-12-7(11)9-8(6-10)2-4-13-5-3-8/h10H,2-6H2,1H3,(H,9,11)
InChIKeyAEALNZLQKYCYJB-UHFFFAOYSA-N
XLogP-0.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.12
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-[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 67224559
[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
[4-(2-Hydroxyethyl)oxan-4-yl]carbamic acid
CID 70662667
N-t-butyl-(4-hydroxymethyl-tetrahydro-pyran-4-yl)-carbamate
CID 86619945
N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 89959674
[4-[Cyano(hydroxy)methyl]oxan-4-yl]carbamic acid
CID 132257484
(4-Methyloxan-4-yl)carbamic acid
CID 154664618
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate;ethyl carbonochloridate
CID 157739384
ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 104630623

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The IUPAC name of methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (CID 104630660) is methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is COC(=O)NC1(CO)CCOCC1.
What is the InChIKey of methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The InChIKey is AEALNZLQKYCYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-12-7(11)9-8(6-10)2-4-13-5-3-8/h10H,2-6H2,1H3,(H,9,11).
What are the key properties of methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate has a molecular weight of 189.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 104630660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).