[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate

C12H23NO4 — CID 91287011

IUPAC[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate
SMILESCOCC1(OC(=O)NC(C)(C)C)CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)13-10(14)17-12(9-15-4)5-7-16-8-6-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyWNRWCLIMYVVHET-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.71
Rot. Bonds3

About [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate

[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate (PubChem CID 91287011) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate
PubChem CID91287011
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate
SMILESCOCC1(OC(=O)NC(C)(C)C)CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)13-10(14)17-12(9-15-4)5-7-16-8-6-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyWNRWCLIMYVVHET-UHFFFAOYSA-N
XLogP1.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516
(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
N-tert-butyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 170256764
(1-butyl-4-propanoylcyclohexyl) N-tert-butylcarbamate
CID 174894029
4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
CID 115619331
4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid
CID 113470689
1-tert-butyl-3-(4-methyloxan-4-yl)urea
CID 116657944
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
(4-methyloxan-4-yl) 2,2-dimethylpropanoate
CID 163516705
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate
CID 174770020
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate?
The IUPAC name of [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate (CID 91287011) is [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate is COCC1(OC(=O)NC(C)(C)C)CCOCC1.
What is the InChIKey of [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate?
The InChIKey is WNRWCLIMYVVHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)13-10(14)17-12(9-15-4)5-7-16-8-6-12/h5-9H2,1-4H3,(H,13,14).
What are the key properties of [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate?
[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 91287011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).