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

C16H24O6 — CID 11688193

IUPAC(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESCOCO[C@H]1C/C=C/C(=O)O[C@H](C)C/C=C/C(=O)O[C@H](C)C1
InChIInChI=1S/C16H24O6/c1-12-6-4-8-16(18)22-13(2)10-14(20-11-19-3)7-5-9-15(17)21-12/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/b8-4+,9-5+/t12-,13-,14+/m1/s1
InChIKeyFOSKDWJWWZWHLT-USRNCKLOSA-N
MW312.36 g/mol
LogP2.14
Rot. Bonds3

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

(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (PubChem CID 11688193) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.

Molecular Properties

Compound Name(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
PubChem CID11688193
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESCOCO[C@H]1C/C=C/C(=O)O[C@H](C)C/C=C/C(=O)O[C@H](C)C1
InChIInChI=1S/C16H24O6/c1-12-6-4-8-16(18)22-13(2)10-14(20-11-19-3)7-5-9-15(17)21-12/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/b8-4+,9-5+/t12-,13-,14+/m1/s1
InChIKeyFOSKDWJWWZWHLT-USRNCKLOSA-N
XLogP2.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The IUPAC name of (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (CID 11688193) is (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.
What is the SMILES notation for (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The canonical SMILES for (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is COCO[C@H]1C/C=C/C(=O)O[C@H](C)C/C=C/C(=O)O[C@H](C)C1.
What is the InChIKey of (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The InChIKey is FOSKDWJWWZWHLT-USRNCKLOSA-N. The full InChI is InChI=1S/C16H24O6/c1-12-6-4-8-16(18)22-13(2)10-14(20-11-19-3)7-5-9-15(17)21-12/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/b8-4+,9-5+/t12-,13-,14+/m1/s1.
What are the key properties of (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione has a molecular weight of 312.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is sourced from PubChem (CID 11688193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).