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

C14H20O5 — CID 139583671

IUPAC(3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESCC1C[C@@H](O)C/C=C\C(=O)O[C@H](C)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-PXIQRSSCSA-N
MW268.31 g/mol
LogP1.51
Rot. Bonds

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

(3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (PubChem CID 139583671) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.

Molecular Properties

Compound Name(3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
PubChem CID139583671
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESCC1C[C@@H](O)C/C=C\C(=O)O[C@H](C)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-PXIQRSSCSA-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 (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The IUPAC name of (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (CID 139583671) is (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.
What is the SMILES notation for (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The canonical SMILES for (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is CC1C[C@@H](O)C/C=C\C(=O)O[C@H](C)C/C=C\C(=O)O1.
What is the InChIKey of (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The InChIKey is YWQZBDUTAGUPGW-PXIQRSSCSA-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 (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
(3Z,6R,9Z,12S)-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 (3Z,6R,9Z,12S)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is sourced from PubChem (CID 139583671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).