(3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione

C19H26O5 — CID 71535163

IUPAC(3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione
SMILESC/C1=C/C=C/C(=O)O[C@H](CO)C/C(C)=C/COCC/C=C/C(=O)C1
InChIInChI=1S/C19H26O5/c1-15-6-5-8-19(22)24-18(14-20)13-16(2)9-11-23-10-4-3-7-17(21)12-15/h3,5-9,18,20H,4,10-14H2,1-2H3/b7-3+,8-5+,15-6-,16-9+/t18-/m0/s1
InChIKeyYTFKFQFHJMQMRW-PQFDZAQDSA-N
MW334.41 g/mol
LogP2.67
Rot. Bonds1

About (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione

(3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione (PubChem CID 71535163) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione.

Molecular Properties

Compound Name(3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione
PubChem CID71535163
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione
SMILESC/C1=C/C=C/C(=O)O[C@H](CO)C/C(C)=C/COCC/C=C/C(=O)C1
InChIInChI=1S/C19H26O5/c1-15-6-5-8-19(22)24-18(14-20)13-16(2)9-11-23-10-4-3-7-17(21)12-15/h3,5-9,18,20H,4,10-14H2,1-2H3/b7-3+,8-5+,15-6-,16-9+/t18-/m0/s1
InChIKeyYTFKFQFHJMQMRW-PQFDZAQDSA-N
XLogP2.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione?
The IUPAC name of (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione (CID 71535163) is (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione.
What is the SMILES notation for (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione?
The canonical SMILES for (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione is C/C1=C/C=C/C(=O)O[C@H](CO)C/C(C)=C/COCC/C=C/C(=O)C1.
What is the InChIKey of (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione?
The InChIKey is YTFKFQFHJMQMRW-PQFDZAQDSA-N. The full InChI is InChI=1S/C19H26O5/c1-15-6-5-8-19(22)24-18(14-20)13-16(2)9-11-23-10-4-3-7-17(21)12-15/h3,5-9,18,20H,4,10-14H2,1-2H3/b7-3+,8-5+,15-6-,16-9+/t18-/m0/s1.
What are the key properties of (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione?
(3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione has a molecular weight of 334.41 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6S,9E,11Z,15E)-6-(hydroxymethyl)-4,12-dimethyl-1,7-dioxacyclooctadeca-3,9,11,15-tetraene-8,14-dione is sourced from PubChem (CID 71535163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).