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

C14H20O5 — CID 11032864

IUPAC(3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESC[C@@H]1C/C=C/C(=O)O[C@H](C)C[C@@H](O)C/C=C/C(=O)O1
InChIInChI=1S/C14H20O5/c1-10-5-3-7-14(17)19-11(2)9-12(15)6-4-8-13(16)18-10/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3/b7-3+,8-4+/t10-,11-,12+/m1/s1
InChIKeyYWQZBDUTAGUPGW-VGAGTADTSA-N
MW268.31 g/mol
LogP1.51
Rot. Bonds

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

(3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (PubChem CID 11032864) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.

Molecular Properties

Compound Name(3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
PubChem CID11032864
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESC[C@@H]1C/C=C/C(=O)O[C@H](C)C[C@@H](O)C/C=C/C(=O)O1
InChIInChI=1S/C14H20O5/c1-10-5-3-7-14(17)19-11(2)9-12(15)6-4-8-13(16)18-10/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3/b7-3+,8-4+/t10-,11-,12+/m1/s1
InChIKeyYWQZBDUTAGUPGW-VGAGTADTSA-N
XLogP1.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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Modiolide A
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Ncgc00385962-01_C16H24O3_
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Macrolactin A
CID 10949443
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(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
CID 11676384

Frequently Asked Questions

What is the IUPAC name of (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The IUPAC name of (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (CID 11032864) is (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.
What is the SMILES notation for (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The canonical SMILES for (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is C[C@@H]1C/C=C/C(=O)O[C@H](C)C[C@@H](O)C/C=C/C(=O)O1.
What is the InChIKey of (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The InChIKey is YWQZBDUTAGUPGW-VGAGTADTSA-N. The full InChI is InChI=1S/C14H20O5/c1-10-5-3-7-14(17)19-11(2)9-12(15)6-4-8-13(16)18-10/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3/b7-3+,8-4+/t10-,11-,12+/m1/s1.
What are the key properties of (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
(3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione has a molecular weight of 268.31 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6R,9E,12S,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is sourced from PubChem (CID 11032864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).