[3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol

C13H25NO2 — CID 70410861

IUPAC[3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol
SMILESCC1(C)OC(CO)CN1CC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2)14(9-12(10-15)16-13)8-11-6-4-3-5-7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyAGHYRSQWEIXDRP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.00
Rot. Bonds3

About [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol

[3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 70410861) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol
PubChem CID70410861
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol
SMILESCC1(C)OC(CO)CN1CC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2)14(9-12(10-15)16-13)8-11-6-4-3-5-7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyAGHYRSQWEIXDRP-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol (CID 70410861) is [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol is CC1(C)OC(CO)CN1CC1CCCCC1.
What is the InChIKey of [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is AGHYRSQWEIXDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)14(9-12(10-15)16-13)8-11-6-4-3-5-7-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol?
[3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 70410861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).