cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

C19H30O5 — CID 89211188

IUPACcyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
SMILESC=C(C)C(=O)OC1CCC(C(=O)OCOCC2CCCCC2)CC1
InChIInChI=1S/C19H30O5/c1-14(2)18(20)24-17-10-8-16(9-11-17)19(21)23-13-22-12-15-6-4-3-5-7-15/h15-17H,1,3-13H2,2H3
InChIKeyXSKNVCDWXTXSGI-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.76
Rot. Bonds7

About cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate (PubChem CID 89211188) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
PubChem CID89211188
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Namecyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
SMILESC=C(C)C(=O)OC1CCC(C(=O)OCOCC2CCCCC2)CC1
InChIInChI=1S/C19H30O5/c1-14(2)18(20)24-17-10-8-16(9-11-17)19(21)23-13-22-12-15-6-4-3-5-7-15/h15-17H,1,3-13H2,2H3
InChIKeyXSKNVCDWXTXSGI-UHFFFAOYSA-N
XLogP3.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
The IUPAC name of cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate (CID 89211188) is cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
The canonical SMILES for cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate is C=C(C)C(=O)OC1CCC(C(=O)OCOCC2CCCCC2)CC1.
What is the InChIKey of cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
The InChIKey is XSKNVCDWXTXSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-14(2)18(20)24-17-10-8-16(9-11-17)19(21)23-13-22-12-15-6-4-3-5-7-15/h15-17H,1,3-13H2,2H3.
What are the key properties of cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate has a molecular weight of 338.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 89211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).