oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate

C13H25NO3 — CID 59481475

IUPACoxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)12(10(3)4)14-13(15)17-11-5-7-16-8-6-11/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyOJBGUJPNWRLLGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.57
Rot. Bonds4

About oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate

oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate (PubChem CID 59481475) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate
PubChem CID59481475
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameoxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)12(10(3)4)14-13(15)17-11-5-7-16-8-6-11/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyOJBGUJPNWRLLGW-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate?
The IUPAC name of oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate (CID 59481475) is oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate.
What is the SMILES notation for oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate?
The canonical SMILES for oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate is CC(C)C(NC(=O)OC1CCOCC1)C(C)C.
What is the InChIKey of oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate?
The InChIKey is OJBGUJPNWRLLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)12(10(3)4)14-13(15)17-11-5-7-16-8-6-11/h9-12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate?
oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.57, 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-dimethylpentan-3-yl)carbamate is sourced from PubChem (CID 59481475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).