(8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione

C14H18O3 — CID 139590908

IUPAC(8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione
SMILESCC[C@]1(C)C(=O)CCc2c1oc(C)c(C)c2=O
InChIInChI=1S/C14H18O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h5-7H2,1-4H3/t14-/m1/s1
InChIKeyDMWYENNLKSWREM-CQSZACIVSA-N
MW234.29 g/mol
LogP2.44
Rot. Bonds1

About (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione

(8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione (PubChem CID 139590908) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione.

Molecular Properties

Compound Name(8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione
PubChem CID139590908
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione
SMILESCC[C@]1(C)C(=O)CCc2c1oc(C)c(C)c2=O
InChIInChI=1S/C14H18O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h5-7H2,1-4H3/t14-/m1/s1
InChIKeyDMWYENNLKSWREM-CQSZACIVSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione?
The IUPAC name of (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione (CID 139590908) is (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione.
What is the SMILES notation for (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione?
The canonical SMILES for (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione is CC[C@]1(C)C(=O)CCc2c1oc(C)c(C)c2=O.
What is the InChIKey of (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione?
The InChIKey is DMWYENNLKSWREM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h5-7H2,1-4H3/t14-/m1/s1.
What are the key properties of (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione?
(8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione has a molecular weight of 234.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione is sourced from PubChem (CID 139590908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).