[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid

C16H27NO5 — CID 67704035

IUPAC[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid
SMILESCC(C)(O)C1CC(C(CC2CCCCC2)NC(=O)O)OC1=O
InChIInChI=1S/C16H27NO5/c1-16(2,21)11-9-13(22-14(11)18)12(17-15(19)20)8-10-6-4-3-5-7-10/h10-13,17,21H,3-9H2,1-2H3,(H,19,20)
InChIKeyYLSKOGAOBDGUFM-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.30
Rot. Bonds5

About [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid

[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid (PubChem CID 67704035) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid
PubChem CID67704035
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid
SMILESCC(C)(O)C1CC(C(CC2CCCCC2)NC(=O)O)OC1=O
InChIInChI=1S/C16H27NO5/c1-16(2,21)11-9-13(22-14(11)18)12(17-15(19)20)8-10-6-4-3-5-7-10/h10-13,17,21H,3-9H2,1-2H3,(H,19,20)
InChIKeyYLSKOGAOBDGUFM-UHFFFAOYSA-N
XLogP2.30
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid?
The IUPAC name of [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid (CID 67704035) is [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid?
The canonical SMILES for [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid is CC(C)(O)C1CC(C(CC2CCCCC2)NC(=O)O)OC1=O.
What is the InChIKey of [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid?
The InChIKey is YLSKOGAOBDGUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-16(2,21)11-9-13(22-14(11)18)12(17-15(19)20)8-10-6-4-3-5-7-10/h10-13,17,21H,3-9H2,1-2H3,(H,19,20).
What are the key properties of [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid?
[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid has a molecular weight of 313.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 67704035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).