2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate

C16H28O3 — CID 22712620

IUPAC2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)C1(C(C)CO)CCCCC1
InChIInChI=1S/C16H28O3/c1-12(2)15(18)19-11-14(4)16(13(3)10-17)8-6-5-7-9-16/h13-14,17H,1,5-11H2,2-4H3
InChIKeyNAEGPUFCIQFWAL-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate

2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate (PubChem CID 22712620) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate
PubChem CID22712620
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)C1(C(C)CO)CCCCC1
InChIInChI=1S/C16H28O3/c1-12(2)15(18)19-11-14(4)16(13(3)10-17)8-6-5-7-9-16/h13-14,17H,1,5-11H2,2-4H3
InChIKeyNAEGPUFCIQFWAL-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate
CID 67375105
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
CID 118503796
[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
CID 147479028

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate (CID 22712620) is 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)C1(C(C)CO)CCCCC1.
What is the InChIKey of 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate?
The InChIKey is NAEGPUFCIQFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-12(2)15(18)19-11-14(4)16(13(3)10-17)8-6-5-7-9-16/h13-14,17H,1,5-11H2,2-4H3.
What are the key properties of 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate?
2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate has a molecular weight of 268.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 22712620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).