8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione

C22H32O3 — CID 163032288

IUPAC8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione
SMILESCC1(C)OC(=O)CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC13
InChIInChI=1S/C22H32O3/c1-18(2)14-5-6-15-19(3)9-7-16(23)20(19,4)11-12-22(15)13-21(14,22)10-8-17(24)25-18/h14-15H,5-13H2,1-4H3
InChIKeyUHWGEBWMTHODHT-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.67
Rot. Bonds

About 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione

8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione (PubChem CID 163032288) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione.

Molecular Properties

Compound Name8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione
PubChem CID163032288
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione
SMILESCC1(C)OC(=O)CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC13
InChIInChI=1S/C22H32O3/c1-18(2)14-5-6-15-19(3)9-7-16(23)20(19,4)11-12-22(15)13-21(14,22)10-8-17(24)25-18/h14-15H,5-13H2,1-4H3
InChIKeyUHWGEBWMTHODHT-UHFFFAOYSA-N
XLogP4.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione with MolForge

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Related Compounds

(1S,4R,5R,6R,10S,12S,13S,16R,21R)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane-8,18-dione
CID 163023427
(1R,4R,5S,6R,10R,12S,13S,16S,21S)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane-8,18-dione
CID 163023426
8-(hydroxymethyl)-16-(7-hydroxy-6-methylhept-5-en-2-yl)-8,13,17-trimethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecan-6-one
CID 162915898
(1S,3R,8R,11S,12S,14S,15R,16R)-15-acetyl-14-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
CID 162883439
(1S,5S,11R,14S,15S,17R,18S,19R,22R,24S)-24-hydroxy-10,10,14,17,18,22-hexamethyl-2,3,9,21,23-pentaoxahexacyclo[13.7.1.119,22.01,17.05,11.05,15]tetracosane-8,20-dione
CID 155818804
(1S,3R,8R,11S,12S,15R,16R)-15-[(3R,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
CID 122179258
(1S,4S,5S,8R,14R,15S,18R,19S,20S)-4,5,9,9,14,21,21-heptamethyl-10,25-dioxahexacyclo[18.3.2.01,19.04,18.05,15.08,14]pentacosan-11-one
CID 11944909
5,6,6-trimethyloxan-2-one
CID 20872380
(1S,3R,6S,8R,11S,12S,15E,16S)-15-ethylidene-7,7,12,16-tetramethyl-6-(methylamino)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
CID 46191236
(1S,3R,6S,12S,15E,16S)-15-butan-2-ylidene-6,7,7,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
CID 140599437
15-[6-(2-hydroxypropan-2-yl)oxan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
CID 162943561
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599

Frequently Asked Questions

What is the IUPAC name of 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione?
The IUPAC name of 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione (CID 163032288) is 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione.
What is the SMILES notation for 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione?
The canonical SMILES for 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione is CC1(C)OC(=O)CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC13.
What is the InChIKey of 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione?
The InChIKey is UHWGEBWMTHODHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-18(2)14-5-6-15-19(3)9-7-16(23)20(19,4)11-12-22(15)13-21(14,22)10-8-17(24)25-18/h14-15H,5-13H2,1-4H3.
What are the key properties of 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione?
8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione has a molecular weight of 344.50 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione is sourced from PubChem (CID 163032288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).