cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate

C19H30O5 — CID 67930672

IUPACcyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate
SMILESC=CC(=O)OC(COCCCC)CC(=C)C(=O)OC1CCCCC1
InChIInChI=1S/C19H30O5/c1-4-6-12-22-14-17(23-18(20)5-2)13-15(3)19(21)24-16-10-8-7-9-11-16/h5,16-17H,2-4,6-14H2,1H3
InChIKeyADCHJMLEBCJYPH-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.72
Rot. Bonds11

About cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate

cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate (PubChem CID 67930672) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate.

Molecular Properties

Compound Namecyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate
PubChem CID67930672
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Namecyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate
SMILESC=CC(=O)OC(COCCCC)CC(=C)C(=O)OC1CCCCC1
InChIInChI=1S/C19H30O5/c1-4-6-12-22-14-17(23-18(20)5-2)13-15(3)19(21)24-16-10-8-7-9-11-16/h5,16-17H,2-4,6-14H2,1H3
InChIKeyADCHJMLEBCJYPH-UHFFFAOYSA-N
XLogP3.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
cyclododecyl 2-methylidenebutanoate
CID 57244431
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
cyclohexyl prop-2-enoate;octadec-9-enyl prop-2-enoate
CID 67765050
cyclohexyl 2-tributylsilylprop-2-enoate
CID 139634255
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
cyclohexane-1,2-dicarboxylic acid;6-propylhexadecan-8-yl prop-2-enoate
CID 175246135
tridecan-5-yl prop-2-enoate
CID 141073146

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate?
The IUPAC name of cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate (CID 67930672) is cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate.
What is the SMILES notation for cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate?
The canonical SMILES for cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate is C=CC(=O)OC(COCCCC)CC(=C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate?
The InChIKey is ADCHJMLEBCJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-4-6-12-22-14-17(23-18(20)5-2)13-15(3)19(21)24-16-10-8-7-9-11-16/h5,16-17H,2-4,6-14H2,1H3.
What are the key properties of cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate?
cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate has a molecular weight of 338.44 g/mol, XLogP of 3.72, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate is sourced from PubChem (CID 67930672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).