3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine

C16H31NO2 — CID 71430597

IUPAC3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine
SMILESCCOCC1CN(C2CCCCC2)C(CC(C)C)O1
InChIInChI=1S/C16H31NO2/c1-4-18-12-15-11-17(14-8-6-5-7-9-14)16(19-15)10-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyDDVRHKWTLOWNCW-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.43
Rot. Bonds6

About 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine

3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine (PubChem CID 71430597) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine
PubChem CID71430597
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine
SMILESCCOCC1CN(C2CCCCC2)C(CC(C)C)O1
InChIInChI=1S/C16H31NO2/c1-4-18-12-15-11-17(14-8-6-5-7-9-14)16(19-15)10-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyDDVRHKWTLOWNCW-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine?
The IUPAC name of 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine (CID 71430597) is 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine.
What is the SMILES notation for 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine?
The canonical SMILES for 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine is CCOCC1CN(C2CCCCC2)C(CC(C)C)O1.
What is the InChIKey of 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine?
The InChIKey is DDVRHKWTLOWNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-18-12-15-11-17(14-8-6-5-7-9-14)16(19-15)10-13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine?
3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine has a molecular weight of 269.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine is sourced from PubChem (CID 71430597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).