11-butyl-1,2,3,4-tetrahydrochrysene

C22H24 — CID 625666

IUPAC11-butyl-1,2,3,4-tetrahydrochrysene
SMILESCCCCc1cc2c(c3ccc4ccccc4c13)CCCC2
InChIInChI=1S/C22H24/c1-2-3-8-18-15-17-10-5-6-11-19(17)21-14-13-16-9-4-7-12-20(16)22(18)21/h4,7,9,12-15H,2-3,5-6,8,10-11H2,1H3
InChIKeyRZDYMMWZEZPGDV-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.21
Rot. Bonds3

About 11-butyl-1,2,3,4-tetrahydrochrysene

11-butyl-1,2,3,4-tetrahydrochrysene (PubChem CID 625666) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 11-butyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name11-butyl-1,2,3,4-tetrahydrochrysene
PubChem CID625666
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name11-butyl-1,2,3,4-tetrahydrochrysene
SMILESCCCCc1cc2c(c3ccc4ccccc4c13)CCCC2
InChIInChI=1S/C22H24/c1-2-3-8-18-15-17-10-5-6-11-19(17)21-14-13-16-9-4-7-12-20(16)22(18)21/h4,7,9,12-15H,2-3,5-6,8,10-11H2,1H3
InChIKeyRZDYMMWZEZPGDV-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 174744465
CID 174744465
CID 174564853
CID 174564853
anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
CID 174858914
1-hydroxypentan-2-one;1,2,3,4-tetrahydrochrysene
CID 174551823
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
CID 174502115
decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene
CID 174495782

Frequently Asked Questions

What is the IUPAC name of 11-butyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 11-butyl-1,2,3,4-tetrahydrochrysene (CID 625666) is 11-butyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 11-butyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 11-butyl-1,2,3,4-tetrahydrochrysene is CCCCc1cc2c(c3ccc4ccccc4c13)CCCC2.
What is the InChIKey of 11-butyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is RZDYMMWZEZPGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-2-3-8-18-15-17-10-5-6-11-19(17)21-14-13-16-9-4-7-12-20(16)22(18)21/h4,7,9,12-15H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of 11-butyl-1,2,3,4-tetrahydrochrysene?
11-butyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 288.43 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 625666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).