8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione

C22H26O4 — CID 162650568

IUPAC8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione
SMILESC=CC1=C(C)C(=O)C=C2C3=C(CCC21OCC)C(C)(OCC)C(=O)C=C3
InChIInChI=1S/C22H26O4/c1-6-16-14(4)19(23)13-18-15-9-10-20(24)21(5,25-7-2)17(15)11-12-22(16,18)26-8-3/h6,9-10,13H,1,7-8,11-12H2,2-5H3
InChIKeyGAFZJLKOLHTFKR-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.80
Rot. Bonds5

About 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione

8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione (PubChem CID 162650568) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione.

Molecular Properties

Compound Name8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione
PubChem CID162650568
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione
SMILESC=CC1=C(C)C(=O)C=C2C3=C(CCC21OCC)C(C)(OCC)C(=O)C=C3
InChIInChI=1S/C22H26O4/c1-6-16-14(4)19(23)13-18-15-9-10-20(24)21(5,25-7-2)17(15)11-12-22(16,18)26-8-3/h6,9-10,13H,1,7-8,11-12H2,2-5H3
InChIKeyGAFZJLKOLHTFKR-UHFFFAOYSA-N
XLogP3.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
The IUPAC name of 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione (CID 162650568) is 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione.
What is the SMILES notation for 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
The canonical SMILES for 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione is C=CC1=C(C)C(=O)C=C2C3=C(CCC21OCC)C(C)(OCC)C(=O)C=C3.
What is the InChIKey of 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
The InChIKey is GAFZJLKOLHTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-6-16-14(4)19(23)13-18-15-9-10-20(24)21(5,25-7-2)17(15)11-12-22(16,18)26-8-3/h6,9-10,13H,1,7-8,11-12H2,2-5H3.
What are the key properties of 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione has a molecular weight of 354.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-1,8a-diethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione is sourced from PubChem (CID 162650568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).