2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol

C20H32O2 — CID 58280984

IUPAC2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCCCC(C)C)O2
InChIInChI=1S/C20H32O2/c1-13(2)9-7-8-11-20(6)12-10-17-16(5)18(21)14(3)15(4)19(17)22-20/h13,21H,7-12H2,1-6H3
InChIKeyZETYAIYEFKEIHP-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.62
Rot. Bonds5

About 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol (PubChem CID 58280984) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
PubChem CID58280984
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCCCC(C)C)O2
InChIInChI=1S/C20H32O2/c1-13(2)9-7-8-11-20(6)12-10-17-16(5)18(21)14(3)15(4)19(17)22-20/h13,21H,7-12H2,1-6H3
InChIKeyZETYAIYEFKEIHP-UHFFFAOYSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol (CID 58280984) is 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCC(C)C)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol?
The InChIKey is ZETYAIYEFKEIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-13(2)9-7-8-11-20(6)12-10-17-16(5)18(21)14(3)15(4)19(17)22-20/h13,21H,7-12H2,1-6H3.
What are the key properties of 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol has a molecular weight of 304.47 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 58280984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).