tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate

C14H24O3 — CID 15091153

IUPACtert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C14H24O3/c1-10(13(16)17-14(2,3)4)12(15)11-8-6-5-7-9-11/h11-12,15H,1,5-9H2,2-4H3
InChIKeyLUSXKLPBNVINHK-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate

tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate (PubChem CID 15091153) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
PubChem CID15091153
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nametert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C14H24O3/c1-10(13(16)17-14(2,3)4)12(15)11-8-6-5-7-9-11/h11-12,15H,1,5-9H2,2-4H3
InChIKeyLUSXKLPBNVINHK-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.83
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

tert-butyl (3S)-3-cyclohexyl-2-diazo-3-hydroxypropanoate
CID 101391386
tert-butyl 4,4,4-trifluoro-3-hydroxy-2-methylidenebutanoate
CID 178152991
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
tert-butyl 2-[(S)-cyclohexyl-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 102169340
tert-butyl 2-cyclooctyl-2-oxoacetate
CID 141407895
1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
CID 100941644
tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
CID 22616826
[(1S,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium tetrafluoroborate
CID 11474327
tert-butyl 2-cyclopentylpropanoate
CID 142496420
1-cyclooctyl-2-methylprop-2-en-1-ol
CID 115817273
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
The IUPAC name of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate (CID 15091153) is tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
The canonical SMILES for tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate is C=C(C(=O)OC(C)(C)C)C(O)C1CCCCC1.
What is the InChIKey of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
The InChIKey is LUSXKLPBNVINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-10(13(16)17-14(2,3)4)12(15)11-8-6-5-7-9-11/h11-12,15H,1,5-9H2,2-4H3.
What are the key properties of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate is sourced from PubChem (CID 15091153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).