10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid

C19H26O5 — CID 139590753

IUPAC10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
SMILESCC(=CC[C@@]1(O)CC(=O)C(C)=CC1=O)CCC=C(C)CCC(=O)O
InChIInChI=1S/C19H26O5/c1-13(7-8-18(22)23)5-4-6-14(2)9-10-19(24)12-16(20)15(3)11-17(19)21/h5,9,11,24H,4,6-8,10,12H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyNUBNMOKMSXKSKF-LJQANCHMSA-N
MW334.41 g/mol
LogP3.13
Rot. Bonds8

About 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid

10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid (PubChem CID 139590753) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
PubChem CID139590753
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
SMILESCC(=CC[C@@]1(O)CC(=O)C(C)=CC1=O)CCC=C(C)CCC(=O)O
InChIInChI=1S/C19H26O5/c1-13(7-8-18(22)23)5-4-6-14(2)9-10-19(24)12-16(20)15(3)11-17(19)21/h5,9,11,24H,4,6-8,10,12H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyNUBNMOKMSXKSKF-LJQANCHMSA-N
XLogP3.13
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid?
The IUPAC name of 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid (CID 139590753) is 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid is CC(=CC[C@@]1(O)CC(=O)C(C)=CC1=O)CCC=C(C)CCC(=O)O.
What is the InChIKey of 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid?
The InChIKey is NUBNMOKMSXKSKF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26O5/c1-13(7-8-18(22)23)5-4-6-14(2)9-10-19(24)12-16(20)15(3)11-17(19)21/h5,9,11,24H,4,6-8,10,12H2,1-3H3,(H,22,23)/t19-/m1/s1.
What are the key properties of 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid?
10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid has a molecular weight of 334.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1R)-1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 139590753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).