1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene

C19H28 — CID 101087117

IUPAC1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene
SMILESCC(C)/C=C/c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28/c1-14(2)7-8-15-9-10-16-17(13-15)19(5,6)12-11-18(16,3)4/h7-10,13-14H,11-12H2,1-6H3/b8-7+
InChIKeyVWOFMZHLTNNBLD-BQYQJAHWSA-N
MW256.43 g/mol
LogP5.70
Rot. Bonds2

About 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene (PubChem CID 101087117) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene
PubChem CID101087117
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene
SMILESCC(C)/C=C/c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28/c1-14(2)7-8-15-9-10-16-17(13-15)19(5,6)12-11-18(16,3)4/h7-10,13-14H,11-12H2,1-6H3/b8-7+
InChIKeyVWOFMZHLTNNBLD-BQYQJAHWSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene (CID 101087117) is 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene is CC(C)/C=C/c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene?
The InChIKey is VWOFMZHLTNNBLD-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H28/c1-14(2)7-8-15-9-10-16-17(13-15)19(5,6)12-11-18(16,3)4/h7-10,13-14H,11-12H2,1-6H3/b8-7+.
What are the key properties of 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene has a molecular weight of 256.43 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene is sourced from PubChem (CID 101087117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).