6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C19H28 — CID 173340112

IUPAC6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESC=CCCc1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28/c1-7-8-9-15-13-17-16(12-14(15)2)18(3,4)10-11-19(17,5)6/h7,12-13H,1,8-11H2,2-6H3
InChIKeyHHAOUQNISGCANI-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.46
Rot. Bonds3

About 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 173340112) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID173340112
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESC=CCCc1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28/c1-7-8-9-15-13-17-16(12-14(15)2)18(3,4)10-11-19(17,5)6/h7,12-13H,1,8-11H2,2-6H3
InChIKeyHHAOUQNISGCANI-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 173340112) is 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is C=CCCc1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is HHAOUQNISGCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-7-8-9-15-13-17-16(12-14(15)2)18(3,4)10-11-19(17,5)6/h7,12-13H,1,8-11H2,2-6H3.
What are the key properties of 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 256.43 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 173340112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).