9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one

C19H24O2 — CID 54205919

IUPAC9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one
SMILESO=C1C=CC2=C(C3CCCCC3)C3CCCCC3OC2=C1
InChIInChI=1S/C19H24O2/c20-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)19(16)13-6-2-1-3-7-13/h10-13,15,17H,1-9H2
InChIKeyPSLPPEQXWHROIE-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.48
Rot. Bonds1

About 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one

9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one (PubChem CID 54205919) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one.

Molecular Properties

Compound Name9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one
PubChem CID54205919
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one
SMILESO=C1C=CC2=C(C3CCCCC3)C3CCCCC3OC2=C1
InChIInChI=1S/C19H24O2/c20-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)19(16)13-6-2-1-3-7-13/h10-13,15,17H,1-9H2
InChIKeyPSLPPEQXWHROIE-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one?
The IUPAC name of 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one (CID 54205919) is 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one.
What is the SMILES notation for 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one?
The canonical SMILES for 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one is O=C1C=CC2=C(C3CCCCC3)C3CCCCC3OC2=C1.
What is the InChIKey of 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one?
The InChIKey is PSLPPEQXWHROIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)19(16)13-6-2-1-3-7-13/h10-13,15,17H,1-9H2.
What are the key properties of 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one?
9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one has a molecular weight of 284.40 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-5,6,7,8,8a,10a-hexahydroxanthen-3-one is sourced from PubChem (CID 54205919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).