(9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione

C14H20O6 — CID 164617184

IUPAC(9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione
SMILESCC1OC(=O)/C=C/[C@@H](O)CC[C@H](C)OC(=O)CCC1=O
InChIInChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-11,15H,3-4,6,8H2,1-2H3/b7-5+/t9-,10?,11-/m0/s1
InChIKeyKKQSKAQUUCPWAX-QNYVXVSMSA-N
MW284.31 g/mol
LogP0.91
Rot. Bonds

About (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione

(9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione (PubChem CID 164617184) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione.

Molecular Properties

Compound Name(9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione
PubChem CID164617184
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione
SMILESCC1OC(=O)/C=C/[C@@H](O)CC[C@H](C)OC(=O)CCC1=O
InChIInChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-11,15H,3-4,6,8H2,1-2H3/b7-5+/t9-,10?,11-/m0/s1
InChIKeyKKQSKAQUUCPWAX-QNYVXVSMSA-N
XLogP0.91
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione?
The IUPAC name of (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione (CID 164617184) is (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione.
What is the SMILES notation for (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione?
The canonical SMILES for (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione is CC1OC(=O)/C=C/[C@@H](O)CC[C@H](C)OC(=O)CCC1=O.
What is the InChIKey of (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione?
The InChIKey is KKQSKAQUUCPWAX-QNYVXVSMSA-N. The full InChI is InChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-11,15H,3-4,6,8H2,1-2H3/b7-5+/t9-,10?,11-/m0/s1.
What are the key properties of (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione?
(9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione has a molecular weight of 284.31 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11S,14S)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,5,8-trione is sourced from PubChem (CID 164617184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).