cyclohexyl 2-methylprop-2-enoate;methanol

C12H24O4 — CID 67315224

IUPACcyclohexyl 2-methylprop-2-enoate;methanol
SMILESC=C(C)C(=O)OC1CCCCC1.CO.CO
InChIInChI=1S/C10H16O2.2CH4O/c1-8(2)10(11)12-9-6-4-3-5-7-9;2*1-2/h9H,1,3-7H2,2H3;2*2H,1H3
InChIKeyGTXYOGCTTAGTJX-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.66
Rot. Bonds2

About cyclohexyl 2-methylprop-2-enoate;methanol

cyclohexyl 2-methylprop-2-enoate;methanol (PubChem CID 67315224) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;methanol.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;methanol
PubChem CID67315224
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namecyclohexyl 2-methylprop-2-enoate;methanol
SMILESC=C(C)C(=O)OC1CCCCC1.CO.CO
InChIInChI=1S/C10H16O2.2CH4O/c1-8(2)10(11)12-9-6-4-3-5-7-9;2*1-2/h9H,1,3-7H2,2H3;2*2H,1H3
InChIKeyGTXYOGCTTAGTJX-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
bis(cyclohexyl 2-methylprop-2-enoate);terephthalic acid
CID 174502958
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571076

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylprop-2-enoate;methanol?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;methanol (CID 67315224) is cyclohexyl 2-methylprop-2-enoate;methanol.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;methanol?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;methanol is C=C(C)C(=O)OC1CCCCC1.CO.CO.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;methanol?
The InChIKey is GTXYOGCTTAGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.2CH4O/c1-8(2)10(11)12-9-6-4-3-5-7-9;2*1-2/h9H,1,3-7H2,2H3;2*2H,1H3.
What are the key properties of cyclohexyl 2-methylprop-2-enoate;methanol?
cyclohexyl 2-methylprop-2-enoate;methanol has a molecular weight of 232.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;methanol is sourced from PubChem (CID 67315224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).