16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione

C24H44O7 — CID 101197490

IUPAC16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione
SMILESCCC1OC(=O)C(C)C(O)C(C)C(O)C(C)(O)CC(C)CC(C)C(=O)C(C)C(O)C1C
InChIInChI=1S/C24H44O7/c1-9-18-14(4)20(26)15(5)19(25)13(3)10-12(2)11-24(8,30)22(28)16(6)21(27)17(7)23(29)31-18/h12-18,20-22,26-28,30H,9-11H2,1-8H3
InChIKeyQPEVMUKJSXGUHI-UHFFFAOYSA-N
MW444.61 g/mol
LogP2.32
Rot. Bonds1

About 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione

16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione (PubChem CID 101197490) has the molecular formula C24H44O7 and a molecular weight of 444.61 g/mol. Its IUPAC name is 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione.

Molecular Properties

Compound Name16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione
PubChem CID101197490
Molecular FormulaC24H44O7
Molecular Weight444.61 g/mol
Exact Mass444.31
IUPAC Name16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione
SMILESCCC1OC(=O)C(C)C(O)C(C)C(O)C(C)(O)CC(C)CC(C)C(=O)C(C)C(O)C1C
InChIInChI=1S/C24H44O7/c1-9-18-14(4)20(26)15(5)19(25)13(3)10-12(2)11-24(8,30)22(28)16(6)21(27)17(7)23(29)31-18/h12-18,20-22,26-28,30H,9-11H2,1-8H3
InChIKeyQPEVMUKJSXGUHI-UHFFFAOYSA-N
XLogP2.32
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,5R,6S,7S,9R,11R,12S,13S,14S)-4-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 162943502
(4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 59511089
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-4-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-oxacyclotetradecane-2,10-dione
CID 10145150
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-4-[(2R,5S)-4-[ethyl(methyl)amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6,7,12-trihydroxy-4-[(2R,5S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 159957171
(2R,3S,4R,8R,10R,12S,13S,14R)-2-ethyl-3,4,10,11,13-pentahydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 71256786
14-(chloromethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 20826742
(2R,4R,8R,11R,12S)-2-ethyl-3,4,10,11-tetrahydroxy-6,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 143226711
(3R,4R,5S,6S,7R,9S,10Z,11S,12S,13R,14S)-14-ethyl-4,6,7,12,13-pentahydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
CID 125029696
(3S,9R,10S,11R,12R)-12-ethyl-4,10-dihydroxy-3,5,9,11-tetramethyl-oxacyclododecane-2,8-dione
CID 59895546
(3R,4S,5R,7S,11S,12R,13R,14R)-14-ethyl-4,10,12-trihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecan-2-one
CID 59895535
(3R,4S,5S,6R,7S,9R,11R,12S,13R,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12-hydroxy-7-(methoxymethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 11039906
(3R,4S,6R,7S,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12-dihydroxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
CID 59986244

Frequently Asked Questions

What is the IUPAC name of 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione?
The IUPAC name of 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione (CID 101197490) is 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione.
What is the SMILES notation for 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione?
The canonical SMILES for 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione is CCC1OC(=O)C(C)C(O)C(C)C(O)C(C)(O)CC(C)CC(C)C(=O)C(C)C(O)C1C.
What is the InChIKey of 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione?
The InChIKey is QPEVMUKJSXGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O7/c1-9-18-14(4)20(26)15(5)19(25)13(3)10-12(2)11-24(8,30)22(28)16(6)21(27)17(7)23(29)31-18/h12-18,20-22,26-28,30H,9-11H2,1-8H3.
What are the key properties of 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione?
16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione has a molecular weight of 444.61 g/mol, XLogP of 2.32, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione is sourced from PubChem (CID 101197490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).