3-cyclohexyloxypropyl 2-methylprop-2-enoate

C13H22O3 — CID 139688731

IUPAC3-cyclohexyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC1CCCCC1
InChIInChI=1S/C13H22O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h12H,1,3-10H2,2H3
InChIKeyHEQPVEDMMDSCGD-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.85
Rot. Bonds6

About 3-cyclohexyloxypropyl 2-methylprop-2-enoate

3-cyclohexyloxypropyl 2-methylprop-2-enoate (PubChem CID 139688731) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-cyclohexyloxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-cyclohexyloxypropyl 2-methylprop-2-enoate
PubChem CID139688731
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-cyclohexyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC1CCCCC1
InChIInChI=1S/C13H22O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h12H,1,3-10H2,2H3
InChIKeyHEQPVEDMMDSCGD-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
CID 58107900
1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate
CID 88577906
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
6-cycloheptyloxyhexan-2-one
CID 61069930
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
CID 142509659
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxypropyl 2-methylprop-2-enoate?
The IUPAC name of 3-cyclohexyloxypropyl 2-methylprop-2-enoate (CID 139688731) is 3-cyclohexyloxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-cyclohexyloxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-cyclohexyloxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxypropyl 2-methylprop-2-enoate?
The InChIKey is HEQPVEDMMDSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h12H,1,3-10H2,2H3.
What are the key properties of 3-cyclohexyloxypropyl 2-methylprop-2-enoate?
3-cyclohexyloxypropyl 2-methylprop-2-enoate has a molecular weight of 226.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 139688731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).