(2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione

C22H32O4 — CID 167247459

IUPAC(2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione
SMILESCCC1CCC2C(C1)OC(=O)C1C3CC(CC)CCC4OC(=O)C2C1C43
InChIInChI=1S/C22H32O4/c1-3-11-6-8-15-17-14(9-11)19-20(17)18(21(23)25-15)13-7-5-12(4-2)10-16(13)26-22(19)24/h11-20H,3-10H2,1-2H3
InChIKeyRVPWYVZPENDDHM-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.97
Rot. Bonds2

About (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione

(2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione (PubChem CID 167247459) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione.

Molecular Properties

Compound Name(2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione
PubChem CID167247459
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione
SMILESCCC1CCC2C(C1)OC(=O)C1C3CC(CC)CCC4OC(=O)C2C1C43
InChIInChI=1S/C22H32O4/c1-3-11-6-8-15-17-14(9-11)19-20(17)18(21(23)25-15)13-7-5-12(4-2)10-16(13)26-22(19)24/h11-20H,3-10H2,1-2H3
InChIKeyRVPWYVZPENDDHM-UHFFFAOYSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione with MolForge

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Related Compounds

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CID 45052171
CID 45052171
1,3-diethylcyclopentane
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(3R,3aR,6S,7aS)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
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(3aR,6S,7aR)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 11041108
(3S,3aR,6S,7aS)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 15923481
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CID 68910969
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CID 124789666
3-ethyl-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
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ethylcyclopropane;5-ethyloxolan-2-one;methane
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Frequently Asked Questions

What is the IUPAC name of (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione?
The IUPAC name of (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione (CID 167247459) is (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione.
What is the SMILES notation for (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione?
The canonical SMILES for (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione is CCC1CCC2C(C1)OC(=O)C1C3CC(CC)CCC4OC(=O)C2C1C43.
What is the InChIKey of (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione?
The InChIKey is RVPWYVZPENDDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4/c1-3-11-6-8-15-17-14(9-11)19-20(17)18(21(23)25-15)13-7-5-12(4-2)10-16(13)26-22(19)24/h11-20H,3-10H2,1-2H3.
What are the key properties of (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione?
(2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione has a molecular weight of 360.49 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,15-diethyl-9,18-dioxapentacyclo[9.9.0.02,8.03,20.012,17]icosane-10,19-dione is sourced from PubChem (CID 167247459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).