8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione

C26H36O4 — CID 78200714

IUPAC8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione
SMILESCC(C)=CCCC(C)=CCC1(C)C(=O)C(CC=C(C)C)=C(O)C2=C1OC(C)CC2=O
InChIInChI=1S/C26H36O4/c1-16(2)9-8-10-18(5)13-14-26(7)24(29)20(12-11-17(3)4)23(28)22-21(27)15-19(6)30-25(22)26/h9,11,13,19,28H,8,10,12,14-15H2,1-7H3
InChIKeyISUDURLJZPCYDL-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.46
Rot. Bonds7

About 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione

8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione (PubChem CID 78200714) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione.

Molecular Properties

Compound Name8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione
PubChem CID78200714
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione
SMILESCC(C)=CCCC(C)=CCC1(C)C(=O)C(CC=C(C)C)=C(O)C2=C1OC(C)CC2=O
InChIInChI=1S/C26H36O4/c1-16(2)9-8-10-18(5)13-14-26(7)24(29)20(12-11-17(3)4)23(28)22-21(27)15-19(6)30-25(22)26/h9,11,13,19,28H,8,10,12,14-15H2,1-7H3
InChIKeyISUDURLJZPCYDL-UHFFFAOYSA-N
XLogP6.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,8S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2,6,8-trimethyl-2,3-dihydrochromene-4,7-dione
CID 162890487
(2R)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
CID 139031176
7-(3,7-dimethylocta-2,6-dienyl)-12,13-dihydroxy-2,2,10-trimethyl-5-(3-methylbut-2-enyl)-3-oxatetracyclo[9.2.1.04,13.07,12]tetradeca-4,9-dien-6-one
CID 85110018
(3R)-2,3,5-trimethyl-6-oxido-4-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-1,5-diene-1-carboxylate
CID 137333726
(6S)-2-acetyl-4-[[3-butanoyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]methyl]-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
CID 162938956
7-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-2-(2-hydroxypropan-2-yl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-6-one
CID 102479495
2,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
CID 53361119
2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one
CID 69099244
1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone
CID 68613852
1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropyl]ethanone
CID 59350120
(2S)-5,7-dihydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 162885818
2-hydroxy-1a-methyl-7a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]oxireno[2,3-b]quinolin-7-one
CID 90657799

Frequently Asked Questions

What is the IUPAC name of 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione?
The IUPAC name of 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione (CID 78200714) is 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione.
What is the SMILES notation for 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione?
The canonical SMILES for 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione is CC(C)=CCCC(C)=CCC1(C)C(=O)C(CC=C(C)C)=C(O)C2=C1OC(C)CC2=O.
What is the InChIKey of 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione?
The InChIKey is ISUDURLJZPCYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4/c1-16(2)9-8-10-18(5)13-14-26(7)24(29)20(12-11-17(3)4)23(28)22-21(27)15-19(6)30-25(22)26/h9,11,13,19,28H,8,10,12,14-15H2,1-7H3.
What are the key properties of 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione?
8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione has a molecular weight of 412.57 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromene-4,7-dione is sourced from PubChem (CID 78200714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).