tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate

C15H27NO4 — CID 63788514

IUPACtert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(17)16(10-12-6-4-8-18-12)11-13-7-5-9-19-13/h12-13H,4-11H2,1-3H3
InChIKeyVHRIVLLGSGVUPB-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.58
Rot. Bonds4

About tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate

tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate (PubChem CID 63788514) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate
PubChem CID63788514
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(17)16(10-12-6-4-8-18-12)11-13-7-5-9-19-13/h12-13H,4-11H2,1-3H3
InChIKeyVHRIVLLGSGVUPB-UHFFFAOYSA-N
XLogP2.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate (CID 63788514) is tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate is CC(C)(C)OC(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The InChIKey is VHRIVLLGSGVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,3)20-14(17)16(10-12-6-4-8-18-12)11-13-7-5-9-19-13/h12-13H,4-11H2,1-3H3.
What are the key properties of tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate?
tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate has a molecular weight of 285.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 63788514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).