(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione

C20H34O5 — CID 142802654

IUPAC(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione
SMILESCC1C/C=C/C(C)C(O)CCOC(=O)CC(O)C(C)(C)C(=O)C(C)C1
InChIInChI=1S/C20H34O5/c1-13-7-6-8-14(2)16(21)9-10-25-18(23)12-17(22)20(4,5)19(24)15(3)11-13/h6,8,13-17,21-22H,7,9-12H2,1-5H3/b8-6+
InChIKeyYZWWPNBBDBFPES-SOFGYWHQSA-N
MW354.49 g/mol
LogP2.89
Rot. Bonds

About (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione

(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione (PubChem CID 142802654) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione.

Molecular Properties

Compound Name(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione
PubChem CID142802654
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione
SMILESCC1C/C=C/C(C)C(O)CCOC(=O)CC(O)C(C)(C)C(=O)C(C)C1
InChIInChI=1S/C20H34O5/c1-13-7-6-8-14(2)16(21)9-10-25-18(23)12-17(22)20(4,5)19(24)15(3)11-13/h6,8,13-17,21-22H,7,9-12H2,1-5H3/b8-6+
InChIKeyYZWWPNBBDBFPES-SOFGYWHQSA-N
XLogP2.89
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione with MolForge

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Related Compounds

(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
CID 142177230
(4S,11E,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177252
(4S,7R,8R,9S,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione
CID 15970134
7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142191260
(4S,7R,8S,9S,10E,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-10-ene-2,6-dione
CID 58810580
(4S,7R,9S,13S)-4-hydroxy-5,5,7,9-tetramethyl-13-propyl-oxacyclohexadecane-2,6-dione;(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-amine
CID 143590719
(13Z)-13-ethyl-4-hydroxy-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142099491
(10E,13E)-16-acetyl-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione
CID 69173388
(4S,7R,8S,9S,10Z,13Z,16S)-16-acetyl-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione
CID 140533283
(11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 142177218
5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione
CID 68611964
(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 142247845

Frequently Asked Questions

What is the IUPAC name of (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione?
The IUPAC name of (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione (CID 142802654) is (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione.
What is the SMILES notation for (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione?
The canonical SMILES for (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione is CC1C/C=C/C(C)C(O)CCOC(=O)CC(O)C(C)(C)C(=O)C(C)C1.
What is the InChIKey of (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione?
The InChIKey is YZWWPNBBDBFPES-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H34O5/c1-13-7-6-8-14(2)16(21)9-10-25-18(23)12-17(22)20(4,5)19(24)15(3)11-13/h6,8,13-17,21-22H,7,9-12H2,1-5H3/b8-6+.
What are the key properties of (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione?
(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione has a molecular weight of 354.49 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione is sourced from PubChem (CID 142802654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).