ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate

C18H24O3 — CID 129404920

IUPACethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCCOC(=O)[C@H]1CCc2cc(C3CCCCC3)ccc2O1
InChIInChI=1S/C18H24O3/c1-2-20-18(19)17-11-9-15-12-14(8-10-16(15)21-17)13-6-4-3-5-7-13/h8,10,12-13,17H,2-7,9,11H2,1H3/t17-/m1/s1
InChIKeyJCLQGSYIUAMKQM-QGZVFWFLSA-N
MW288.39 g/mol
LogP3.99
Rot. Bonds3

About ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate

ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 129404920) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID129404920
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Nameethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCCOC(=O)[C@H]1CCc2cc(C3CCCCC3)ccc2O1
InChIInChI=1S/C18H24O3/c1-2-20-18(19)17-11-9-15-12-14(8-10-16(15)21-17)13-6-4-3-5-7-13/h8,10,12-13,17H,2-7,9,11H2,1H3/t17-/m1/s1
InChIKeyJCLQGSYIUAMKQM-QGZVFWFLSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate (CID 129404920) is ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate is CCOC(=O)[C@H]1CCc2cc(C3CCCCC3)ccc2O1.
What is the InChIKey of ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is JCLQGSYIUAMKQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-20-18(19)17-11-9-15-12-14(8-10-16(15)21-17)13-6-4-3-5-7-13/h8,10,12-13,17H,2-7,9,11H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate?
ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-6-cyclohexyl-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 129404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).