(3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione

C21H34O5 — CID 90320380

IUPAC(3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione
SMILESCC[C@H]1OC(=O)/C(C)=C\CC(=O)C(C)(C)C[C@@H](C)[C@H](C)CC(=O)[C@]1(C)O
InChIInChI=1S/C21H34O5/c1-8-18-21(7,25)17(23)11-14(3)15(4)12-20(5,6)16(22)10-9-13(2)19(24)26-18/h9,14-15,18,25H,8,10-12H2,1-7H3/b13-9-/t14-,15-,18-,21+/m1/s1
InChIKeyRSQXEKVHLANGOZ-UIHOBVKKSA-N
MW366.50 g/mol
LogP3.63
Rot. Bonds1

About (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione

(3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione (PubChem CID 90320380) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol. Its IUPAC name is (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione.

Molecular Properties

Compound Name(3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione
PubChem CID90320380
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name(3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione
SMILESCC[C@H]1OC(=O)/C(C)=C\CC(=O)C(C)(C)C[C@@H](C)[C@H](C)CC(=O)[C@]1(C)O
InChIInChI=1S/C21H34O5/c1-8-18-21(7,25)17(23)11-14(3)15(4)12-20(5,6)16(22)10-9-13(2)19(24)26-18/h9,14-15,18,25H,8,10-12H2,1-7H3/b13-9-/t14-,15-,18-,21+/m1/s1
InChIKeyRSQXEKVHLANGOZ-UIHOBVKKSA-N
XLogP3.63
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione?
The IUPAC name of (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione (CID 90320380) is (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione.
What is the SMILES notation for (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione?
The canonical SMILES for (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione is CC[C@H]1OC(=O)/C(C)=C\CC(=O)C(C)(C)C[C@@H](C)[C@H](C)CC(=O)[C@]1(C)O.
What is the InChIKey of (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione?
The InChIKey is RSQXEKVHLANGOZ-UIHOBVKKSA-N. The full InChI is InChI=1S/C21H34O5/c1-8-18-21(7,25)17(23)11-14(3)15(4)12-20(5,6)16(22)10-9-13(2)19(24)26-18/h9,14-15,18,25H,8,10-12H2,1-7H3/b13-9-/t14-,15-,18-,21+/m1/s1.
What are the key properties of (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione?
(3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione has a molecular weight of 366.50 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9R,10R,13R,14R)-14-ethyl-13-hydroxy-3,7,7,9,10,13-hexamethyl-1-oxacyclotetradec-3-ene-2,6,12-trione is sourced from PubChem (CID 90320380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).