(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one

C24H30O4 — CID 162959945

IUPAC(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2oc3cc(O)ccc3c(=O)c2[C@H]1C
InChIInChI=1S/C24H30O4/c1-15(2)8-6-9-16(3)10-7-13-24(5)17(4)21-22(26)19-12-11-18(25)14-20(19)27-23(21)28-24/h8,10-12,14,17,25H,6-7,9,13H2,1-5H3/t17-,24+/m1/s1
InChIKeyCCGSKBSMOVDXJF-OSPHWJPCSA-N
MW382.50 g/mol
LogP6.23
Rot. Bonds6

About (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one

(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one (PubChem CID 162959945) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one.

Molecular Properties

Compound Name(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
PubChem CID162959945
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2oc3cc(O)ccc3c(=O)c2[C@H]1C
InChIInChI=1S/C24H30O4/c1-15(2)8-6-9-16(3)10-7-13-24(5)17(4)21-22(26)19-12-11-18(25)14-20(19)27-23(21)28-24/h8,10-12,14,17,25H,6-7,9,13H2,1-5H3/t17-,24+/m1/s1
InChIKeyCCGSKBSMOVDXJF-OSPHWJPCSA-N
XLogP6.23
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.23
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,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
CID 11036345
(2S,3R)-2-(8-hydroxy-4,8-dimethylnona-3,6-dienyl)-7-methoxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
CID 163045411
(3R,4S,5R)-3-(2,4-dihydroxybenzoyl)-5-(4,8-dimethylnona-3,7-dienyl)-4,5-dimethyloxolan-2-one
CID 162990352
2,3,3,4-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-4H-chromen-6-ol
CID 67933965
(2R,3S)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
CID 162956192
(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
CID 162956190
(2R,3S)-2-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
CID 10250145
2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-4-one
CID 71438276
(2R,3S)-3-(4,8-dimethylnona-3,7-dienyl)-7-methoxy-2,3-dimethyl-2H-furo[3,2-c]chromen-4-one
CID 162930178
(3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-6,11-dihydroxy-3-methylpyrano[2,3-c]xanthen-7-one
CID 163049542
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-1,3-dioxolane
CID 77156345

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one?
The IUPAC name of (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one (CID 162959945) is (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one.
What is the SMILES notation for (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one?
The canonical SMILES for (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one is CC(C)=CCCC(C)=CCC[C@]1(C)Oc2oc3cc(O)ccc3c(=O)c2[C@H]1C.
What is the InChIKey of (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one?
The InChIKey is CCGSKBSMOVDXJF-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H30O4/c1-15(2)8-6-9-16(3)10-7-13-24(5)17(4)21-22(26)19-12-11-18(25)14-20(19)27-23(21)28-24/h8,10-12,14,17,25H,6-7,9,13H2,1-5H3/t17-,24+/m1/s1.
What are the key properties of (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one?
(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one has a molecular weight of 382.50 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one is sourced from PubChem (CID 162959945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).