(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione

C14H22O3 — CID 88878273

IUPAC(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione
SMILESC/C=C/C(=O)C(C)/C=C/C(=O)C(C)C(O)CC
InChIInChI=1S/C14H22O3/c1-5-7-13(16)10(3)8-9-14(17)11(4)12(15)6-2/h5,7-12,15H,6H2,1-4H3/b7-5+,9-8+
InChIKeyVYJBMEHWBKRVOC-ZIRGRKGMSA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds7

About (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione

(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione (PubChem CID 88878273) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione.

Molecular Properties

Compound Name(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione
PubChem CID88878273
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione
SMILESC/C=C/C(=O)C(C)/C=C/C(=O)C(C)C(O)CC
InChIInChI=1S/C14H22O3/c1-5-7-13(16)10(3)8-9-14(17)11(4)12(15)6-2/h5,7-12,15H,6H2,1-4H3/b7-5+,9-8+
InChIKeyVYJBMEHWBKRVOC-ZIRGRKGMSA-N
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione?
The IUPAC name of (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione (CID 88878273) is (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione.
What is the SMILES notation for (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione?
The canonical SMILES for (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione is C/C=C/C(=O)C(C)/C=C/C(=O)C(C)C(O)CC.
What is the InChIKey of (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione?
The InChIKey is VYJBMEHWBKRVOC-ZIRGRKGMSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-7-13(16)10(3)8-9-14(17)11(4)12(15)6-2/h5,7-12,15H,6H2,1-4H3/b7-5+,9-8+.
What are the key properties of (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione?
(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione has a molecular weight of 238.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione is sourced from PubChem (CID 88878273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).