1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene

C15H18 — CID 11985593

IUPAC1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
SMILESCCC(CC1C=CC=C1)c1ccccc1
InChIInChI=1S/C15H18/c1-2-14(12-13-8-6-7-9-13)15-10-4-3-5-11-15/h3-11,13-14H,2,12H2,1H3
InChIKeyOFHRJBBAIJFWTA-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.31
Rot. Bonds4

About 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene

1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene (PubChem CID 11985593) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
PubChem CID11985593
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
SMILESCCC(CC1C=CC=C1)c1ccccc1
InChIInChI=1S/C15H18/c1-2-14(12-13-8-6-7-9-13)15-10-4-3-5-11-15/h3-11,13-14H,2,12H2,1H3
InChIKeyOFHRJBBAIJFWTA-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;pentan-3-ylbenzene
CID 19774895
(3R)-3-phenylpentanal
CID 12598589
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
pentan-3-ylbenzene;selenic acid
CID 175520254
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
3-methyl-4-(2-phenylbutyl)oxolane-2,5-dione
CID 20781539
N-[(2S)-2-phenylbutyl]formamide
CID 124705740
octan-3-ylbenzene
CID 519547
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
heptan-3-ylbenzene;methane
CID 159006232
(1-fluoro-1-phenylpentan-3-yl)benzene
CID 150013028
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene (CID 11985593) is 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene is CCC(CC1C=CC=C1)c1ccccc1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene?
The InChIKey is OFHRJBBAIJFWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-14(12-13-8-6-7-9-13)15-10-4-3-5-11-15/h3-11,13-14H,2,12H2,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene?
1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene is sourced from PubChem (CID 11985593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).