5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene

C20H22 — CID 123231188

IUPAC5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene
SMILESCCCCC1c2ccccc2-c2ccccc2C2CC12
InChIInChI=1S/C20H22/c1-2-3-8-17-15-10-5-4-9-14(15)16-11-6-7-12-18(16)20-13-19(17)20/h4-7,9-12,17,19-20H,2-3,8,13H2,1H3
InChIKeyQSPVQEWWWSUZPI-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.74
Rot. Bonds3

About 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene

5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene (PubChem CID 123231188) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene.

Molecular Properties

Compound Name5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene
PubChem CID123231188
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene
SMILESCCCCC1c2ccccc2-c2ccccc2C2CC12
InChIInChI=1S/C20H22/c1-2-3-8-17-15-10-5-4-9-14(15)16-11-6-7-12-18(16)20-13-19(17)20/h4-7,9-12,17,19-20H,2-3,8,13H2,1H3
InChIKeyQSPVQEWWWSUZPI-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene with MolForge

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Related Compounds

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4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one
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9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
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CID 20588402
N-butyl-N-methyl-9H-fluoren-9-amine
CID 14340271
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CID 175522173
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CID 54043553
9-pentoxy-9H-fluorene
CID 175299691
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CID 69084900
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CID 158720726

Frequently Asked Questions

What is the IUPAC name of 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene?
The IUPAC name of 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene (CID 123231188) is 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene.
What is the SMILES notation for 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene?
The canonical SMILES for 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene is CCCCC1c2ccccc2-c2ccccc2C2CC12.
What is the InChIKey of 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene?
The InChIKey is QSPVQEWWWSUZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-2-3-8-17-15-10-5-4-9-14(15)16-11-6-7-12-18(16)20-13-19(17)20/h4-7,9-12,17,19-20H,2-3,8,13H2,1H3.
What are the key properties of 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene?
5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene has a molecular weight of 262.40 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene is sourced from PubChem (CID 123231188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).