2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene

C30H50O — CID 90944573

IUPAC2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene
SMILESCCCCCCCCCc1ccc2c(c1)CCC(C)(C=CCC(C)CCCC(C)C)O2
InChIInChI=1S/C30H50O/c1-6-7-8-9-10-11-12-18-27-19-20-29-28(24-27)21-23-30(5,31-29)22-14-17-26(4)16-13-15-25(2)3/h14,19-20,22,24-26H,6-13,15-18,21,23H2,1-5H3
InChIKeyZZJFKDJNBNMBHG-UHFFFAOYSA-N
MW426.73 g/mol
LogP9.47
Rot. Bonds15

About 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene

2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene (PubChem CID 90944573) has the molecular formula C30H50O and a molecular weight of 426.73 g/mol. Its IUPAC name is 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene
PubChem CID90944573
Molecular FormulaC30H50O
Molecular Weight426.73 g/mol
Exact Mass426.39
IUPAC Name2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene
SMILESCCCCCCCCCc1ccc2c(c1)CCC(C)(C=CCC(C)CCCC(C)C)O2
InChIInChI=1S/C30H50O/c1-6-7-8-9-10-11-12-18-27-19-20-29-28(24-27)21-23-30(5,31-29)22-14-17-26(4)16-13-15-25(2)3/h14,19-20,22,24-26H,6-13,15-18,21,23H2,1-5H3
InChIKeyZZJFKDJNBNMBHG-UHFFFAOYSA-N
XLogP9.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene?
The IUPAC name of 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene (CID 90944573) is 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene.
What is the SMILES notation for 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene?
The canonical SMILES for 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene is CCCCCCCCCc1ccc2c(c1)CCC(C)(C=CCC(C)CCCC(C)C)O2.
What is the InChIKey of 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene?
The InChIKey is ZZJFKDJNBNMBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O/c1-6-7-8-9-10-11-12-18-27-19-20-29-28(24-27)21-23-30(5,31-29)22-14-17-26(4)16-13-15-25(2)3/h14,19-20,22,24-26H,6-13,15-18,21,23H2,1-5H3.
What are the key properties of 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene?
2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene has a molecular weight of 426.73 g/mol, XLogP of 9.47, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnon-1-enyl)-2-methyl-6-nonyl-3,4-dihydrochromene is sourced from PubChem (CID 90944573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).