[2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate

C20H32O7 — CID 89484853

IUPAC[2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate
SMILESC=CC(=O)OC1CCCCC1OC(C)C(=O)OC1CCCCC1OC(C)O
InChIInChI=1S/C20H32O7/c1-4-19(22)26-17-11-7-5-9-15(17)24-13(2)20(23)27-18-12-8-6-10-16(18)25-14(3)21/h4,13-18,21H,1,5-12H2,2-3H3
InChIKeyWMGOEXXBRXWWNS-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.64
Rot. Bonds8

About [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate

[2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate (PubChem CID 89484853) has the molecular formula C20H32O7 and a molecular weight of 384.47 g/mol. Its IUPAC name is [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate.

Molecular Properties

Compound Name[2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate
PubChem CID89484853
Molecular FormulaC20H32O7
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Name[2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate
SMILESC=CC(=O)OC1CCCCC1OC(C)C(=O)OC1CCCCC1OC(C)O
InChIInChI=1S/C20H32O7/c1-4-19(22)26-17-11-7-5-9-15(17)24-13(2)20(23)27-18-12-8-6-10-16(18)25-14(3)21/h4,13-18,21H,1,5-12H2,2-3H3
InChIKeyWMGOEXXBRXWWNS-UHFFFAOYSA-N
XLogP2.64
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate?
The IUPAC name of [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate (CID 89484853) is [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate.
What is the SMILES notation for [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate?
The canonical SMILES for [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate is C=CC(=O)OC1CCCCC1OC(C)C(=O)OC1CCCCC1OC(C)O.
What is the InChIKey of [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate?
The InChIKey is WMGOEXXBRXWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O7/c1-4-19(22)26-17-11-7-5-9-15(17)24-13(2)20(23)27-18-12-8-6-10-16(18)25-14(3)21/h4,13-18,21H,1,5-12H2,2-3H3.
What are the key properties of [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate?
[2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate has a molecular weight of 384.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethoxy)cyclohexyl] 2-(2-prop-2-enoyloxycyclohexyl)oxypropanoate is sourced from PubChem (CID 89484853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).