(6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one

C25H42O6 — CID 162982284

IUPAC(6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one
SMILESC=C(CCC[C@@H](O)C[C@H](C)O)C[C@@H]1CC(=C)C[C@@H](O)C/C(C)=C\[C@@H](O)CCCC(=O)O1
InChIInChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11-/t20-,21-,22+,23-,24+/m0/s1
InChIKeyZDRUEHAANPCQTG-YOXVGSKDSA-N
MW438.61 g/mol
LogP3.73
Rot. Bonds8

About (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one

(6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one (PubChem CID 162982284) has the molecular formula C25H42O6 and a molecular weight of 438.61 g/mol. Its IUPAC name is (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one.

Molecular Properties

Compound Name(6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one
PubChem CID162982284
Molecular FormulaC25H42O6
Molecular Weight438.61 g/mol
Exact Mass438.30
IUPAC Name(6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one
SMILESC=C(CCC[C@@H](O)C[C@H](C)O)C[C@@H]1CC(=C)C[C@@H](O)C/C(C)=C\[C@@H](O)CCCC(=O)O1
InChIInChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11-/t20-,21-,22+,23-,24+/m0/s1
InChIKeyZDRUEHAANPCQTG-YOXVGSKDSA-N
XLogP3.73
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one?
The IUPAC name of (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one (CID 162982284) is (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one.
What is the SMILES notation for (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one?
The canonical SMILES for (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one is C=C(CCC[C@@H](O)C[C@H](C)O)C[C@@H]1CC(=C)C[C@@H](O)C/C(C)=C\[C@@H](O)CCCC(=O)O1.
What is the InChIKey of (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one?
The InChIKey is ZDRUEHAANPCQTG-YOXVGSKDSA-N. The full InChI is InChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11-/t20-,21-,22+,23-,24+/m0/s1.
What are the key properties of (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one?
(6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one has a molecular weight of 438.61 g/mol, XLogP of 3.73, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7Z,10R,14R)-14-[(6R,8S)-6,8-dihydroxy-2-methylidenenonyl]-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one is sourced from PubChem (CID 162982284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).