[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate

C14H20O6 — CID 140677617

IUPAC[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(O)CCCCC1(O)OC(=O)C(=C)C
InChIInChI=1S/C14H20O6/c1-9(2)11(15)19-13(17)7-5-6-8-14(13,18)20-12(16)10(3)4/h17-18H,1,3,5-8H2,2,4H3
InChIKeyISBFSTBPZPPLTL-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.18
Rot. Bonds4

About [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate

[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 140677617) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
PubChem CID140677617
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(O)CCCCC1(O)OC(=O)C(=C)C
InChIInChI=1S/C14H20O6/c1-9(2)11(15)19-13(17)7-5-6-8-14(13,18)20-12(16)10(3)4/h17-18H,1,3,5-8H2,2,4H3
InChIKeyISBFSTBPZPPLTL-UHFFFAOYSA-N
XLogP1.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
[1-(3-methylbut-1-ynyl)cyclopentyl] 2-methylprop-2-enoate
CID 167137204
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
(4-cyclopropylspiro[4.5]decan-4-yl) 2-methylprop-2-enoate
CID 122533410
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] 2-methylprop-2-enoate
CID 58999843

Frequently Asked Questions

What is the IUPAC name of [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate (CID 140677617) is [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(O)CCCCC1(O)OC(=O)C(=C)C.
What is the InChIKey of [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is ISBFSTBPZPPLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-9(2)11(15)19-13(17)7-5-6-8-14(13,18)20-12(16)10(3)4/h17-18H,1,3,5-8H2,2,4H3.
What are the key properties of [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140677617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).