2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene

C20H30O2 — CID 142338753

IUPAC2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene
SMILESC=C(C)CCCCOc1c(C)c(C)c2c(c1C)CCC(C)O2
InChIInChI=1S/C20H30O2/c1-13(2)9-7-8-12-21-19-15(4)16(5)20-18(17(19)6)11-10-14(3)22-20/h14H,1,7-12H2,2-6H3
InChIKeyDHLUKKFKBHKBIP-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.45
Rot. Bonds6

About 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene

2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene (PubChem CID 142338753) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene
PubChem CID142338753
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene
SMILESC=C(C)CCCCOc1c(C)c(C)c2c(c1C)CCC(C)O2
InChIInChI=1S/C20H30O2/c1-13(2)9-7-8-12-21-19-15(4)16(5)20-18(17(19)6)11-10-14(3)22-20/h14H,1,7-12H2,2-6H3
InChIKeyDHLUKKFKBHKBIP-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 172845448
(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-chromene
CID 70422364
(2S)-6-ethenoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 155713423
6-butoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene;(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 143852298
2-methyl-4-[[(2R)-5,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl]oxy]butanoic acid
CID 20632879
2,5,8-trimethyl-3,4-dihydro-2H-chromene
CID 167473800
bis(5-methylhex-5-enyl) bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 171777455
ethane;(2,5,8-trimethyl-3,4-dihydro-2H-chromen-6-yl) acetate;2,6,10-trimethyltridecane
CID 178009838
4-(3-methylbut-3-enoxy)cyclohexan-1-one
CID 114472654
2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran
CID 155032390
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
8-heptoxy-2-methyloct-1-ene
CID 59205550

Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene (CID 142338753) is 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene is C=C(C)CCCCOc1c(C)c(C)c2c(c1C)CCC(C)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene?
The InChIKey is DHLUKKFKBHKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-13(2)9-7-8-12-21-19-15(4)16(5)20-18(17(19)6)11-10-14(3)22-20/h14H,1,7-12H2,2-6H3.
What are the key properties of 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene?
2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene has a molecular weight of 302.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 142338753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).