2-butyltetracene

C22H20 — CID 177478805

IUPAC2-butyltetracene
SMILESCCCCc1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C22H20/c1-2-3-6-16-9-10-19-14-21-12-17-7-4-5-8-18(17)13-22(21)15-20(19)11-16/h4-5,7-15H,2-3,6H2,1H3
InChIKeyBRSLRGJESYPKBV-UHFFFAOYSA-N
MW284.40 g/mol
LogP6.49
Rot. Bonds3

About 2-butyltetracene

2-butyltetracene (PubChem CID 177478805) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-butyltetracene.

Molecular Properties

Compound Name2-butyltetracene
PubChem CID177478805
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name2-butyltetracene
SMILESCCCCc1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C22H20/c1-2-3-6-16-9-10-19-14-21-12-17-7-4-5-8-18(17)13-22(21)15-20(19)11-16/h4-5,7-15H,2-3,6H2,1H3
InChIKeyBRSLRGJESYPKBV-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-butylpentacene
CID 172754039
2-octylanthracene
CID 23131226
2-butyl-6-propylnaphthalene;propane
CID 123540121
2-butyl-6-propylnaphthalene
CID 58232616
ethane;2-hexylnaphthalene
CID 142191207
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
2-pentylnaphthalene;prop-1-ene
CID 173098363
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
6,13-dibromo-2-tetracosylpentacene
CID 162372248
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
2-[(E)-docos-6-enyl]naphthalene
CID 101307769

Frequently Asked Questions

What is the IUPAC name of 2-butyltetracene?
The IUPAC name of 2-butyltetracene (CID 177478805) is 2-butyltetracene.
What is the SMILES notation for 2-butyltetracene?
The canonical SMILES for 2-butyltetracene is CCCCc1ccc2cc3cc4ccccc4cc3cc2c1.
What is the InChIKey of 2-butyltetracene?
The InChIKey is BRSLRGJESYPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-2-3-6-16-9-10-19-14-21-12-17-7-4-5-8-18(17)13-22(21)15-20(19)11-16/h4-5,7-15H,2-3,6H2,1H3.
What are the key properties of 2-butyltetracene?
2-butyltetracene has a molecular weight of 284.40 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyltetracene is sourced from PubChem (CID 177478805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).