tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

C14H27NO6 — CID 66686229

IUPACtert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COCCO)COC(C)(C)OC1
InChIInChI=1S/C14H27NO6/c1-12(2,3)21-11(17)15-14(8-18-7-6-16)9-19-13(4,5)20-10-14/h16H,6-10H2,1-5H3,(H,15,17)
InChIKeyUIEWYTDUOXQFMW-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.04
Rot. Bonds5

About tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate (PubChem CID 66686229) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
PubChem CID66686229
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Nametert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COCCO)COC(C)(C)OC1
InChIInChI=1S/C14H27NO6/c1-12(2,3)21-11(17)15-14(8-18-7-6-16)9-19-13(4,5)20-10-14/h16H,6-10H2,1-5H3,(H,15,17)
InChIKeyUIEWYTDUOXQFMW-UHFFFAOYSA-N
XLogP1.04
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate (CID 66686229) is tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate is CC(C)(C)OC(=O)NC1(COCCO)COC(C)(C)OC1.
What is the InChIKey of tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
The InChIKey is UIEWYTDUOXQFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6/c1-12(2,3)21-11(17)15-14(8-18-7-6-16)9-19-13(4,5)20-10-14/h16H,6-10H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate has a molecular weight of 305.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate is sourced from PubChem (CID 66686229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).