1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene

C17H30 — CID 176816287

IUPAC1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene
SMILESCCC(C)C1=C(C(C)CC)C(C(C)CC)C=C1
InChIInChI=1S/C17H30/c1-7-12(4)15-10-11-16(13(5)8-2)17(15)14(6)9-3/h10-15H,7-9H2,1-6H3
InChIKeyOYFLWWZWKDANQQ-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.61
Rot. Bonds6

About 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene

1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene (PubChem CID 176816287) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene
PubChem CID176816287
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene
SMILESCCC(C)C1=C(C(C)CC)C(C(C)CC)C=C1
InChIInChI=1S/C17H30/c1-7-12(4)15-10-11-16(13(5)8-2)17(15)14(6)9-3/h10-15H,7-9H2,1-6H3
InChIKeyOYFLWWZWKDANQQ-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-butan-2-yl-1-methylcyclopropene
CID 123179212
tris(2-butan-2-ylcyclopenta-1,3-diene);praseodymium(3+)
CID 23120720
1,2,3,4,7-penta(propan-2-yl)cyclohepta-1,3,5-triene
CID 158147204
1,2,3,4,5,6-hexa(butan-2-yl)benzene
CID 21482675
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
7-butan-2-yl-3-methylcyclohepta-1,3,5-triene
CID 123535959
(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
CID 149377273
6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
CID 118141061
3-butan-2-yl-2,3-dihydropyran-6-one
CID 123659399
2-butan-2-yl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 143473757
sodium 2-butan-2-ylcyclopenta-1,3-diene
CID 23120725
CID 11529542
CID 11529542

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene (CID 176816287) is 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene is CCC(C)C1=C(C(C)CC)C(C(C)CC)C=C1.
What is the InChIKey of 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene?
The InChIKey is OYFLWWZWKDANQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-7-12(4)15-10-11-16(13(5)8-2)17(15)14(6)9-3/h10-15H,7-9H2,1-6H3.
What are the key properties of 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene?
1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene has a molecular weight of 234.43 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tri(butan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 176816287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).