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

C14H22O6 — CID 162912095

IUPAC(5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione
SMILESC[C@@H]1OC(=O)/C=C/[C@@H](O)CC[C@H](C)OC(=O)CC[C@@H]1O
InChIInChI=1S/C14H22O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-12,15-16H,3-4,6,8H2,1-2H3/b7-5+/t9-,10-,11-,12-/m0/s1
InChIKeyUXOMTBTZXNATRM-HWQAPSGLSA-N
MW286.32 g/mol
LogP0.70
Rot. Bonds

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

(5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione (PubChem CID 162912095) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione.

Molecular Properties

Compound Name(5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione
PubChem CID162912095
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione
SMILESC[C@@H]1OC(=O)/C=C/[C@@H](O)CC[C@H](C)OC(=O)CC[C@@H]1O
InChIInChI=1S/C14H22O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-12,15-16H,3-4,6,8H2,1-2H3/b7-5+/t9-,10-,11-,12-/m0/s1
InChIKeyUXOMTBTZXNATRM-HWQAPSGLSA-N
XLogP0.70
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione?
The IUPAC name of (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione (CID 162912095) is (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione.
What is the SMILES notation for (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione?
The canonical SMILES for (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione is C[C@@H]1OC(=O)/C=C/[C@@H](O)CC[C@H](C)OC(=O)CC[C@@H]1O.
What is the InChIKey of (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione?
The InChIKey is UXOMTBTZXNATRM-HWQAPSGLSA-N. The full InChI is InChI=1S/C14H22O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-12,15-16H,3-4,6,8H2,1-2H3/b7-5+/t9-,10-,11-,12-/m0/s1.
What are the key properties of (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione?
(5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione has a molecular weight of 286.32 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,9E,11S,14S)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione is sourced from PubChem (CID 162912095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).