cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate

C17H26O5 — CID 18962668

IUPACcyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)OC(C)C
InChIInChI=1S/C17H26O5/c1-12(2)21-16(18)13(3)10-20-11-14(4)17(19)22-15-8-6-5-7-9-15/h12,15H,3-11H2,1-2H3
InChIKeyZZUYNQLPRBDOGL-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.94
Rot. Bonds8

About cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate

cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate (PubChem CID 18962668) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate
PubChem CID18962668
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Namecyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)OC(C)C
InChIInChI=1S/C17H26O5/c1-12(2)21-16(18)13(3)10-20-11-14(4)17(19)22-15-8-6-5-7-9-15/h12,15H,3-11H2,1-2H3
InChIKeyZZUYNQLPRBDOGL-UHFFFAOYSA-N
XLogP2.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate (CID 18962668) is cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate is C=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)OC(C)C.
What is the InChIKey of cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
The InChIKey is ZZUYNQLPRBDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-12(2)21-16(18)13(3)10-20-11-14(4)17(19)22-15-8-6-5-7-9-15/h12,15H,3-11H2,1-2H3.
What are the key properties of cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate has a molecular weight of 310.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2-propan-2-yloxycarbonylprop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 18962668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).