(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol

C65H80O20 — CID 161390943

IUPAC(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol
SMILESCCCC1OCC(O)c2ccc3c(c21)OCO3.CCC[C@@H]1OC[C@@H](O)c2ccc3c(c21)OCO3.CCC[C@@H]1OC[C@H](O)c2ccc3c(c21)OCO3.CCC[C@H]1OC[C@@H](O)c2ccc3c(c21)OCO3.CCC[C@H]1OC[C@H](O)c2ccc3c(c21)OCO3
InChIInChI=1S/5C13H16O4/c5*1-2-3-10-12-8(9(14)6-15-10)4-5-11-13(12)17-7-16-11/h5*4-5,9-10,14H,2-3,6-7H2,1H3/t2*9-,10+;2*9-,10-;/m1010./s1
InChIKeyVSZAZBXOWJSGTP-BVDFBVSTSA-N
MW1181.33 g/mol
LogP11.60
Rot. Bonds10

About (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol

(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol (PubChem CID 161390943) has the molecular formula C65H80O20 and a molecular weight of 1181.33 g/mol. Its IUPAC name is (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol.

Molecular Properties

Compound Name(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol
PubChem CID161390943
Molecular FormulaC65H80O20
Molecular Weight1181.33 g/mol
Exact Mass1180.52
IUPAC Name(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol
SMILESCCCC1OCC(O)c2ccc3c(c21)OCO3.CCC[C@@H]1OC[C@@H](O)c2ccc3c(c21)OCO3.CCC[C@@H]1OC[C@H](O)c2ccc3c(c21)OCO3.CCC[C@H]1OC[C@@H](O)c2ccc3c(c21)OCO3.CCC[C@H]1OC[C@H](O)c2ccc3c(c21)OCO3
InChIInChI=1S/5C13H16O4/c5*1-2-3-10-12-8(9(14)6-15-10)4-5-11-13(12)17-7-16-11/h5*4-5,9-10,14H,2-3,6-7H2,1H3/t2*9-,10+;2*9-,10-;/m1010./s1
InChIKeyVSZAZBXOWJSGTP-BVDFBVSTSA-N
XLogP11.60
TPSA239.60 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.33
LogP ≤ 511.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol with MolForge

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Related Compounds

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8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine
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N-[[6-(4-methoxyphenyl)-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-yl]methyl]butan-1-amine;hydrochloride
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5-bromo-4-(1,3-dioxolan-2-yl)-1,3-benzodioxole
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6-methylcyclobuta[g][1,3]benzodioxole
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Frequently Asked Questions

What is the IUPAC name of (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol?
The IUPAC name of (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol (CID 161390943) is (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol.
What is the SMILES notation for (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol?
The canonical SMILES for (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol is CCCC1OCC(O)c2ccc3c(c21)OCO3.CCC[C@@H]1OC[C@@H](O)c2ccc3c(c21)OCO3.CCC[C@@H]1OC[C@H](O)c2ccc3c(c21)OCO3.CCC[C@H]1OC[C@@H](O)c2ccc3c(c21)OCO3.CCC[C@H]1OC[C@H](O)c2ccc3c(c21)OCO3.
What is the InChIKey of (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol?
The InChIKey is VSZAZBXOWJSGTP-BVDFBVSTSA-N. The full InChI is InChI=1S/5C13H16O4/c5*1-2-3-10-12-8(9(14)6-15-10)4-5-11-13(12)17-7-16-11/h5*4-5,9-10,14H,2-3,6-7H2,1H3/t2*9-,10+;2*9-,10-;/m1010./s1.
What are the key properties of (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol?
(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol has a molecular weight of 1181.33 g/mol, XLogP of 11.60, 10 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol is sourced from PubChem (CID 161390943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).