oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate

C13H23NO3 — CID 91009379

IUPACoxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate
SMILESC=C(C)C(NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)12(10(3)4)14-13(15)17-11-5-7-16-8-6-11/h10-12H,1,5-8H2,2-4H3,(H,14,15)
InChIKeyCUHWWUVZWCOBJD-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds4

About oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate

oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate (PubChem CID 91009379) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate
PubChem CID91009379
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate
SMILESC=C(C)C(NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)12(10(3)4)14-13(15)17-11-5-7-16-8-6-11/h10-12H,1,5-8H2,2-4H3,(H,14,15)
InChIKeyCUHWWUVZWCOBJD-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate?
The IUPAC name of oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate (CID 91009379) is oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate.
What is the SMILES notation for oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate?
The canonical SMILES for oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate is C=C(C)C(NC(=O)OC1CCOCC1)C(C)C.
What is the InChIKey of oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate?
The InChIKey is CUHWWUVZWCOBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)12(10(3)4)14-13(15)17-11-5-7-16-8-6-11/h10-12H,1,5-8H2,2-4H3,(H,14,15).
What are the key properties of oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate?
oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate is sourced from PubChem (CID 91009379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).