(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

C16H18O4 — CID 99987323

IUPAC(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESO=C1C[C@@H](C2CCCCC2)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C16H18O4/c17-16-7-11(10-4-2-1-3-5-10)12-6-14-15(19-9-18-14)8-13(12)20-16/h6,8,10-11H,1-5,7,9H2/t11-/m0/s1
InChIKeyHLDMNXGVNMYMCK-NSHDSACASA-N
MW274.32 g/mol
LogP3.39
Rot. Bonds1

About (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one (PubChem CID 99987323) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one.

Molecular Properties

Compound Name(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
PubChem CID99987323
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESO=C1C[C@@H](C2CCCCC2)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C16H18O4/c17-16-7-11(10-4-2-1-3-5-10)12-6-14-15(19-9-18-14)8-13(12)20-16/h6,8,10-11H,1-5,7,9H2/t11-/m0/s1
InChIKeyHLDMNXGVNMYMCK-NSHDSACASA-N
XLogP3.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The IUPAC name of (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one (CID 99987323) is (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one.
What is the SMILES notation for (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The canonical SMILES for (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one is O=C1C[C@@H](C2CCCCC2)c2cc3c(cc2O1)OCO3.
What is the InChIKey of (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The InChIKey is HLDMNXGVNMYMCK-NSHDSACASA-N. The full InChI is InChI=1S/C16H18O4/c17-16-7-11(10-4-2-1-3-5-10)12-6-14-15(19-9-18-14)8-13(12)20-16/h6,8,10-11H,1-5,7,9H2/t11-/m0/s1.
What are the key properties of (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
(8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one has a molecular weight of 274.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-cyclohexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one is sourced from PubChem (CID 99987323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).