3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

C20H36O5 — CID 146015118

IUPAC3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESCOC1(C)CC(C)CC(C)(O)C(=O)OCC(C)CC(C)C(=O)C(C)C1
InChIInChI=1S/C20H36O5/c1-13-8-15(3)17(21)16(4)11-19(5,24-7)9-14(2)10-20(6,23)18(22)25-12-13/h13-16,23H,8-12H2,1-7H3
InChIKeyOJPNSRRQOWFERS-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.37
Rot. Bonds1

About 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (PubChem CID 146015118) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

Molecular Properties

Compound Name3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
PubChem CID146015118
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESCOC1(C)CC(C)CC(C)(O)C(=O)OCC(C)CC(C)C(=O)C(C)C1
InChIInChI=1S/C20H36O5/c1-13-8-15(3)17(21)16(4)11-19(5,24-7)9-14(2)10-20(6,23)18(22)25-12-13/h13-16,23H,8-12H2,1-7H3
InChIKeyOJPNSRRQOWFERS-UHFFFAOYSA-N
XLogP3.37
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione with MolForge

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Related Compounds

cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(3R,5R)-3,5-dimethyloxan-2-one
CID 12759371
(2R,3R,7R,9S,11S)-2-ethyl-3,4-dihydroxy-9-methoxy-3,7,9,11,13-pentamethyl-6-methylidene-1-oxa-5-azacyclotetradecan-14-one
CID 143277701
(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
CID 143592307
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
trans-(3S,5S)-3-methoxy-3,5-dimethylcyclohexan-1-one
CID 130906180
2-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-8-methoxy-6,8,10,12,12-pentamethyl-1-oxa-4-azacyclotridecane-11,13-dione
CID 175827545
2-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-6,8,10,12,12-pentamethyl-4-propyl-1-oxa-4-azacyclotridecane-11,13-dione
CID 175827532
2-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-6,8,10,12,12-pentamethyl-11,13-dioxo-N-phenyl-1-oxa-4-azacyclotridecane-4-carboxamide
CID 175827563
(3S,5R,7R,9R,11E,13S,14R)-14-ethyl-3-fluoro-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione
CID 71193889
(3R,5R,7R,9R,11S,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-10-(2-methoxyethylimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione
CID 145467610

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The IUPAC name of 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (CID 146015118) is 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
What is the SMILES notation for 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The canonical SMILES for 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is COC1(C)CC(C)CC(C)(O)C(=O)OCC(C)CC(C)C(=O)C(C)C1.
What is the InChIKey of 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The InChIKey is OJPNSRRQOWFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O5/c1-13-8-15(3)17(21)16(4)11-19(5,24-7)9-14(2)10-20(6,23)18(22)25-12-13/h13-16,23H,8-12H2,1-7H3.
What are the key properties of 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione has a molecular weight of 356.50 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 146015118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).