1,2,3,4-tetrabutylcyclopenta-1,3-diene

C21H38 — CID 14094225

IUPAC1,2,3,4-tetrabutylcyclopenta-1,3-diene
SMILESCCCCC1=C(CCCC)C(CCCC)=C(CCCC)C1
InChIInChI=1S/C21H38/c1-5-9-13-18-17-19(14-10-6-2)21(16-12-8-4)20(18)15-11-7-3/h5-17H2,1-4H3
InChIKeyQHYWVVUSMGTICC-UHFFFAOYSA-N
MW290.53 g/mol
LogP7.74
Rot. Bonds12

About 1,2,3,4-tetrabutylcyclopenta-1,3-diene

1,2,3,4-tetrabutylcyclopenta-1,3-diene (PubChem CID 14094225) has the molecular formula C21H38 and a molecular weight of 290.53 g/mol. Its IUPAC name is 1,2,3,4-tetrabutylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetrabutylcyclopenta-1,3-diene
PubChem CID14094225
Molecular FormulaC21H38
Molecular Weight290.53 g/mol
Exact Mass290.30
IUPAC Name1,2,3,4-tetrabutylcyclopenta-1,3-diene
SMILESCCCCC1=C(CCCC)C(CCCC)=C(CCCC)C1
InChIInChI=1S/C21H38/c1-5-9-13-18-17-19(14-10-6-2)21(16-12-8-4)20(18)15-11-7-3/h5-17H2,1-4H3
InChIKeyQHYWVVUSMGTICC-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.53
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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10-(2-butylcyclopropen-1-yl)decanoic acid
CID 70182082
3-butyl-2-propyl-1H-indene
CID 141343467
1-butyl-2-ethylcyclopentene
CID 154086983
1-bromo-2-nonylcyclopropene
CID 22621660
2,3-dipentylcyclopent-2-en-1-one
CID 70016136
7-(2-octylcyclopropen-1-yl)heptanoic acid
CID 10416
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
CID 139667512
8-(2-heptylcyclopropen-1-yl)octanoic acid
CID 68593336
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CID 12586860

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrabutylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetrabutylcyclopenta-1,3-diene (CID 14094225) is 1,2,3,4-tetrabutylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetrabutylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetrabutylcyclopenta-1,3-diene is CCCCC1=C(CCCC)C(CCCC)=C(CCCC)C1.
What is the InChIKey of 1,2,3,4-tetrabutylcyclopenta-1,3-diene?
The InChIKey is QHYWVVUSMGTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-5-9-13-18-17-19(14-10-6-2)21(16-12-8-4)20(18)15-11-7-3/h5-17H2,1-4H3.
What are the key properties of 1,2,3,4-tetrabutylcyclopenta-1,3-diene?
1,2,3,4-tetrabutylcyclopenta-1,3-diene has a molecular weight of 290.53 g/mol, XLogP of 7.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrabutylcyclopenta-1,3-diene is sourced from PubChem (CID 14094225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).