4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione

C24H34O9 — CID 140507495

IUPAC4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione
SMILESC=C(C)C(=O)CC(O)(OC(C)OC(C)OC(O)(CC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C24H34O9/c1-13(2)19(25)11-23(29,21(27)15(5)6)32-17(9)31-18(10)33-24(30,22(28)16(7)8)12-20(26)14(3)4/h17-18,29-30H,1,3,5,7,11-12H2,2,4,6,8-10H3
InChIKeyXBJOHPXBHQWBTJ-UHFFFAOYSA-N
MW466.53 g/mol
LogP2.47
Rot. Bonds16

About 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione

4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione (PubChem CID 140507495) has the molecular formula C24H34O9 and a molecular weight of 466.53 g/mol. Its IUPAC name is 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione.

Molecular Properties

Compound Name4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione
PubChem CID140507495
Molecular FormulaC24H34O9
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione
SMILESC=C(C)C(=O)CC(O)(OC(C)OC(C)OC(O)(CC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C24H34O9/c1-13(2)19(25)11-23(29,21(27)15(5)6)32-17(9)31-18(10)33-24(30,22(28)16(7)8)12-20(26)14(3)4/h17-18,29-30H,1,3,5,7,11-12H2,2,4,6,8-10H3
InChIKeyXBJOHPXBHQWBTJ-UHFFFAOYSA-N
XLogP2.47
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione with MolForge

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Related Compounds

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2,5,5,6,6-pentamethylhept-1-en-3-one
CID 130257344
1-methoxyethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 174493549
(4-methyl-3-oxopent-4-enyl) carbamate
CID 137378458
(4-hydroxy-2,8-dimethyl-3,7-dioxonona-1,8-dien-4-yl) phenyl hydrogen phosphate
CID 140579129
2,6,6-trimethyl-3-methylidenehept-1-en-4-one
CID 169195899
2,5,5-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-1-en-3-one
CID 139387369
1-ethoxyethyl 6-methyl-5-oxohept-6-enoate
CID 23553998
[2-hydroxy-2-methyl-3-(4-methylpentoxy)propyl] 2-methylprop-2-enoate
CID 155380189
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
3-methyl-1-trimethoxysilylbut-3-en-2-one
CID 139685268
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione?
The IUPAC name of 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione (CID 140507495) is 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione.
What is the SMILES notation for 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione?
The canonical SMILES for 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione is C=C(C)C(=O)CC(O)(OC(C)OC(C)OC(O)(CC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.
What is the InChIKey of 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione?
The InChIKey is XBJOHPXBHQWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O9/c1-13(2)19(25)11-23(29,21(27)15(5)6)32-17(9)31-18(10)33-24(30,22(28)16(7)8)12-20(26)14(3)4/h17-18,29-30H,1,3,5,7,11-12H2,2,4,6,8-10H3.
What are the key properties of 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione?
4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione has a molecular weight of 466.53 g/mol, XLogP of 2.47, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[1-[1-(4-hydroxy-2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-yl)oxyethoxy]ethoxy]-2,7-dimethylocta-1,7-diene-3,6-dione is sourced from PubChem (CID 140507495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).