(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate

C13H22O2 — CID 118603756

IUPAC(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(C)C)C1
InChIInChI=1S/C13H22O2/c1-9(2)11-6-5-7-12(8-11)15-13(14)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyGTLRRBYGSWAAQG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds3

About (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate

(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 118603756) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
PubChem CID118603756
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(C)C)C1
InChIInChI=1S/C13H22O2/c1-9(2)11-6-5-7-12(8-11)15-13(14)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyGTLRRBYGSWAAQG-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 141303889
[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230504
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
(3-decylcyclohexyl) 2-methylprop-2-enoate
CID 141237299
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
CID 164845118
[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
CID 118200324
CID 153408261
CID 153408261

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate (CID 118603756) is (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(C(C)C)C1.
What is the InChIKey of (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is GTLRRBYGSWAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)11-6-5-7-12(8-11)15-13(14)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3.
What are the key properties of (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate?
(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 118603756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).