cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate

C16H26O5 — CID 159401375

IUPACcyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.C=CC(=O)OCCOC
InChIInChI=1S/C10H16O2.C6H10O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3-6(7)9-5-4-8-2/h9H,1,3-7H2,2H3;3H,1,4-5H2,2H3
InChIKeyLNJNZRBGERRZOI-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.80
Rot. Bonds6

About cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate

cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate (PubChem CID 159401375) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
PubChem CID159401375
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Namecyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.C=CC(=O)OCCOC
InChIInChI=1S/C10H16O2.C6H10O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3-6(7)9-5-4-8-2/h9H,1,3-7H2,2H3;3H,1,4-5H2,2H3
InChIKeyLNJNZRBGERRZOI-UHFFFAOYSA-N
XLogP2.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate (CID 159401375) is cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate is C=C(C)C(=O)OC1CCCCC1.C=CC(=O)OCCOC.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate?
The InChIKey is LNJNZRBGERRZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C6H10O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3-6(7)9-5-4-8-2/h9H,1,3-7H2,2H3;3H,1,4-5H2,2H3.
What are the key properties of cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate?
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate is sourced from PubChem (CID 159401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).