14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione

C20H34O6 — CID 21343786

IUPAC14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
SMILESCCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)CCC(=O)C(C)C(O)C1C
InChIInChI=1S/C20H34O6/c1-7-16-12(4)18(23)11(3)15(21)9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-16/h10-14,16-18,22-23H,7-9H2,1-6H3
InChIKeyLZFSGOVFNHRIMW-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.14
Rot. Bonds1

About 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione

14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione (PubChem CID 21343786) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione.

Molecular Properties

Compound Name14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
PubChem CID21343786
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
SMILESCCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)CCC(=O)C(C)C(O)C1C
InChIInChI=1S/C20H34O6/c1-7-16-12(4)18(23)11(3)15(21)9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-16/h10-14,16-18,22-23H,7-9H2,1-6H3
InChIKeyLZFSGOVFNHRIMW-UHFFFAOYSA-N
XLogP2.14
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S,9R,10S,11R,12R)-12-ethyl-4,10-dihydroxy-3,5,9,11-tetramethyl-oxacyclododecane-2,8-dione
CID 59895546
(3R,5R,6S,7S,11R,13R,14R)-14-ethyl-6-hydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
CID 59895520
(4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 59511089
(3R,4S,5S,6S,7S,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
CID 59986234
(3R,5S,6R)-6-ethyl-3,5-dimethyloxane-2,4-dione
CID 53348666
(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
(3E)-12-hydroxy-3,5,6,7,11,13-hexamethyl-14-propyl-1-oxacyclotetradec-3-ene-2,10-dione
CID 21343770
16-ethyl-4,6,7,14-tetrahydroxy-3,5,7,9,11,13,15-heptamethyl-oxacyclohexadecane-2,12-dione
CID 101197490
14-(chloromethyl)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 20826742
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(8S,9R,10S,11S)-4-ethyl-8,10-dihydroxy-3,7,11-trimethyl-5-oxabicyclo[7.3.1]tridecane-2,6-dione
CID 70887250
(3R,5S,7R,11R)-4-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-ethyl-3,5,7,11-tetramethyl-oxacyclododecane-2,8-dione
CID 177411529

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
The IUPAC name of 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione (CID 21343786) is 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione.
What is the SMILES notation for 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
The canonical SMILES for 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione is CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)CCC(=O)C(C)C(O)C1C.
What is the InChIKey of 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
The InChIKey is LZFSGOVFNHRIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6/c1-7-16-12(4)18(23)11(3)15(21)9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-16/h10-14,16-18,22-23H,7-9H2,1-6H3.
What are the key properties of 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione has a molecular weight of 370.49 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-6,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione is sourced from PubChem (CID 21343786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).