oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate

C14H25NO3 — CID 126813583

IUPACoxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate
SMILESCC1(C)CCC(NC(=O)OC2CCOCC2)CC1
InChIInChI=1S/C14H25NO3/c1-14(2)7-3-11(4-8-14)15-13(16)18-12-5-9-17-10-6-12/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyYDRXVPRNAIJAKS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds2

About oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate

oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate (PubChem CID 126813583) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate
PubChem CID126813583
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameoxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate
SMILESCC1(C)CCC(NC(=O)OC2CCOCC2)CC1
InChIInChI=1S/C14H25NO3/c1-14(2)7-3-11(4-8-14)15-13(16)18-12-5-9-17-10-6-12/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyYDRXVPRNAIJAKS-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
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-(4,4-dimethylcyclohexyl)carbamate?
The IUPAC name of oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate (CID 126813583) is oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate.
What is the SMILES notation for oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate?
The canonical SMILES for oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate is CC1(C)CCC(NC(=O)OC2CCOCC2)CC1.
What is the InChIKey of oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate?
The InChIKey is YDRXVPRNAIJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2)7-3-11(4-8-14)15-13(16)18-12-5-9-17-10-6-12/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate?
oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate is sourced from PubChem (CID 126813583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).