(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione

C16H22O7 — CID 10544101

IUPAC(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
SMILESCOCO[C@@H]1C[C@@H](C)OC(=O)/C=C/C[C@@H](C)OC(=O)/C=C/C1=O
InChIInChI=1S/C16H22O7/c1-11-5-4-6-15(18)23-12(2)9-14(21-10-20-3)13(17)7-8-16(19)22-11/h4,6-8,11-12,14H,5,9-10H2,1-3H3/b6-4+,8-7+/t11-,12-,14-/m1/s1
InChIKeyQAQBVGPOLCCPIN-WOYYAFRCSA-N
MW326.35 g/mol
LogP1.31
Rot. Bonds3

About (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione

(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione (PubChem CID 10544101) has the molecular formula C16H22O7 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione.

Molecular Properties

Compound Name(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
PubChem CID10544101
Molecular FormulaC16H22O7
Molecular Weight326.35 g/mol
Exact Mass326.14
IUPAC Name(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
SMILESCOCO[C@@H]1C[C@@H](C)OC(=O)/C=C/C[C@@H](C)OC(=O)/C=C/C1=O
InChIInChI=1S/C16H22O7/c1-11-5-4-6-15(18)23-12(2)9-14(21-10-20-3)13(17)7-8-16(19)22-11/h4,6-8,11-12,14H,5,9-10H2,1-3H3/b6-4+,8-7+/t11-,12-,14-/m1/s1
InChIKeyQAQBVGPOLCCPIN-WOYYAFRCSA-N
XLogP1.31
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ufcywvgymrdumx-pkvxpvjzsa-
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CID 102239699
(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
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Frequently Asked Questions

What is the IUPAC name of (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The IUPAC name of (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione (CID 10544101) is (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione.
What is the SMILES notation for (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The canonical SMILES for (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione is COCO[C@@H]1C[C@@H](C)OC(=O)/C=C/C[C@@H](C)OC(=O)/C=C/C1=O.
What is the InChIKey of (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The InChIKey is QAQBVGPOLCCPIN-WOYYAFRCSA-N. The full InChI is InChI=1S/C16H22O7/c1-11-5-4-6-15(18)23-12(2)9-14(21-10-20-3)13(17)7-8-16(19)22-11/h4,6-8,11-12,14H,5,9-10H2,1-3H3/b6-4+,8-7+/t11-,12-,14-/m1/s1.
What are the key properties of (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione has a molecular weight of 326.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione is sourced from PubChem (CID 10544101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).