oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate

C13H23NO3 — CID 58331888

IUPACoxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
SMILESC=C(C)C(NC(=O)OC1CCOC1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)11(13(3,4)5)14-12(15)17-10-6-7-16-8-10/h10-11H,1,6-8H2,2-5H3,(H,14,15)
InChIKeyFEDDMVODWLJVLP-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds3

About oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate

oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate (PubChem CID 58331888) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
PubChem CID58331888
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
SMILESC=C(C)C(NC(=O)OC1CCOC1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)11(13(3,4)5)14-12(15)17-10-6-7-16-8-10/h10-11H,1,6-8H2,2-5H3,(H,14,15)
InChIKeyFEDDMVODWLJVLP-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate?
The IUPAC name of oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate (CID 58331888) is oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate.
What is the SMILES notation for oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate?
The canonical SMILES for oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate is C=C(C)C(NC(=O)OC1CCOC1)C(C)(C)C.
What is the InChIKey of oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate?
The InChIKey is FEDDMVODWLJVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)11(13(3,4)5)14-12(15)17-10-6-7-16-8-10/h10-11H,1,6-8H2,2-5H3,(H,14,15).
What are the key properties of oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate?
oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate is sourced from PubChem (CID 58331888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).