1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene

C17H18 — CID 19977332

IUPAC1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene
SMILESCC(C)C1(C2=CCC=C2)C=Cc2ccccc21
InChIInChI=1S/C17H18/c1-13(2)17(15-8-4-5-9-15)12-11-14-7-3-6-10-16(14)17/h3-4,6-13H,5H2,1-2H3
InChIKeyQLOXHKVOGAAKFN-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.49
Rot. Bonds2

About 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene

1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene (PubChem CID 19977332) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene
PubChem CID19977332
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene
SMILESCC(C)C1(C2=CCC=C2)C=Cc2ccccc21
InChIInChI=1S/C17H18/c1-13(2)17(15-8-4-5-9-15)12-11-14-7-3-6-10-16(14)17/h3-4,6-13H,5H2,1-2H3
InChIKeyQLOXHKVOGAAKFN-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-cyclopenta-1,4-dien-1-ylethanol;[diphenyl(trityloxy)methyl]benzene
CID 19994099
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CID 135083238
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
1-methoxyinden-1-ol
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N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
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CID 10944441

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene (CID 19977332) is 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene is CC(C)C1(C2=CCC=C2)C=Cc2ccccc21.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene?
The InChIKey is QLOXHKVOGAAKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-13(2)17(15-8-4-5-9-15)12-11-14-7-3-6-10-16(14)17/h3-4,6-13H,5H2,1-2H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene?
1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene has a molecular weight of 222.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene is sourced from PubChem (CID 19977332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).