1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate

C16H28O3 — CID 89277087

IUPAC1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC1CCCCC1CC(C)CC
InChIInChI=1S/C16H28O3/c1-5-12(3)11-14-9-7-8-10-15(14)18-13(4)19-16(17)6-2/h6,12-15H,2,5,7-11H2,1,3-4H3
InChIKeyOPZDCNWYGXVVNS-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.07
Rot. Bonds7

About 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate

1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate (PubChem CID 89277087) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate
PubChem CID89277087
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC1CCCCC1CC(C)CC
InChIInChI=1S/C16H28O3/c1-5-12(3)11-14-9-7-8-10-15(14)18-13(4)19-16(17)6-2/h6,12-15H,2,5,7-11H2,1,3-4H3
InChIKeyOPZDCNWYGXVVNS-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate?
The IUPAC name of 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate (CID 89277087) is 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate?
The canonical SMILES for 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate is C=CC(=O)OC(C)OC1CCCCC1CC(C)CC.
What is the InChIKey of 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate?
The InChIKey is OPZDCNWYGXVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-5-12(3)11-14-9-7-8-10-15(14)18-13(4)19-16(17)6-2/h6,12-15H,2,5,7-11H2,1,3-4H3.
What are the key properties of 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate?
1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate has a molecular weight of 268.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 89277087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).