1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate

C15H24O5 — CID 58874377

IUPAC1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate
SMILESCC(C)/C=C/C(=O)OC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C15H24O5/c1-11(2)9-10-14(16)18-12(3)19-15(17)20-13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3/b10-9+
InChIKeyOQMCKIHARWWLNK-MDZDMXLPSA-N
MW284.35 g/mol
LogP3.57
Rot. Bonds5

About 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate

1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate (PubChem CID 58874377) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate
PubChem CID58874377
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate
SMILESCC(C)/C=C/C(=O)OC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C15H24O5/c1-11(2)9-10-14(16)18-12(3)19-15(17)20-13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3/b10-9+
InChIKeyOQMCKIHARWWLNK-MDZDMXLPSA-N
XLogP3.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate?
The IUPAC name of 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate (CID 58874377) is 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate.
What is the SMILES notation for 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate?
The canonical SMILES for 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate is CC(C)/C=C/C(=O)OC(C)OC(=O)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate?
The InChIKey is OQMCKIHARWWLNK-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H24O5/c1-11(2)9-10-14(16)18-12(3)19-15(17)20-13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3/b10-9+.
What are the key properties of 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate?
1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate has a molecular weight of 284.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyloxyethyl (E)-4-methylpent-2-enoate is sourced from PubChem (CID 58874377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).