(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione

C19H34O5 — CID 143592307

IUPAC(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
SMILESCO[C@@]1(C)CCCC(C)C(=O)OC[C@H](C)C(O)C(C)C(=O)[C@H](C)C1
InChIInChI=1S/C19H34O5/c1-12-8-7-9-19(5,23-6)10-13(2)16(20)15(4)17(21)14(3)11-24-18(12)22/h12-15,17,21H,7-11H2,1-6H3/t12?,13-,14+,15?,17?,19+/m1/s1
InChIKeyRZDDEBCMJQNVEW-XPEHLCIWSA-N
MW342.48 g/mol
LogP2.98
Rot. Bonds1

About (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione

(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione (PubChem CID 143592307) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione.

Molecular Properties

Compound Name(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
PubChem CID143592307
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
SMILESCO[C@@]1(C)CCCC(C)C(=O)OC[C@H](C)C(O)C(C)C(=O)[C@H](C)C1
InChIInChI=1S/C19H34O5/c1-12-8-7-9-19(5,23-6)10-13(2)16(20)15(4)17(21)14(3)11-24-18(12)22/h12-15,17,21H,7-11H2,1-6H3/t12?,13-,14+,15?,17?,19+/m1/s1
InChIKeyRZDDEBCMJQNVEW-XPEHLCIWSA-N
XLogP2.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione?
The IUPAC name of (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione (CID 143592307) is (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione.
What is the SMILES notation for (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione?
The canonical SMILES for (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione is CO[C@@]1(C)CCCC(C)C(=O)OC[C@H](C)C(O)C(C)C(=O)[C@H](C)C1.
What is the InChIKey of (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione?
The InChIKey is RZDDEBCMJQNVEW-XPEHLCIWSA-N. The full InChI is InChI=1S/C19H34O5/c1-12-8-7-9-19(5,23-6)10-13(2)16(20)15(4)17(21)14(3)11-24-18(12)22/h12-15,17,21H,7-11H2,1-6H3/t12?,13-,14+,15?,17?,19+/m1/s1.
What are the key properties of (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione?
(7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione has a molecular weight of 342.48 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9R,13S)-12-hydroxy-7-methoxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 143592307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).