(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one

C16H20O2 — CID 11521602

IUPAC(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one
SMILESC=C(C)[C@H]1CCC2=CC3=C(CCCC3=O)O[C@H]2C1
InChIInChI=1S/C16H20O2/c1-10(2)11-6-7-12-8-13-14(17)4-3-5-15(13)18-16(12)9-11/h8,11,16H,1,3-7,9H2,2H3/t11-,16-/m0/s1
InChIKeyAQOQNIQJCRXKJG-ZBEGNZNMSA-N
MW244.33 g/mol
LogP3.69
Rot. Bonds1

About (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one

(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one (PubChem CID 11521602) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one.

Molecular Properties

Compound Name(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one
PubChem CID11521602
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one
SMILESC=C(C)[C@H]1CCC2=CC3=C(CCCC3=O)O[C@H]2C1
InChIInChI=1S/C16H20O2/c1-10(2)11-6-7-12-8-13-14(17)4-3-5-15(13)18-16(12)9-11/h8,11,16H,1,3-7,9H2,2H3/t11-,16-/m0/s1
InChIKeyAQOQNIQJCRXKJG-ZBEGNZNMSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-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 (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one?
The IUPAC name of (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one (CID 11521602) is (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one.
What is the SMILES notation for (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one?
The canonical SMILES for (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one is C=C(C)[C@H]1CCC2=CC3=C(CCCC3=O)O[C@H]2C1.
What is the InChIKey of (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one?
The InChIKey is AQOQNIQJCRXKJG-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H20O2/c1-10(2)11-6-7-12-8-13-14(17)4-3-5-15(13)18-16(12)9-11/h8,11,16H,1,3-7,9H2,2H3/t11-,16-/m0/s1.
What are the key properties of (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one?
(6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10aS)-6-prop-1-en-2-yl-2,3,4,5,6,7,8,10a-octahydroxanthen-1-one is sourced from PubChem (CID 11521602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).