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

C13H22 — CID 169222897

IUPAC1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene
SMILESCCC(C)C1=CC=CC1CC(C)C
InChIInChI=1S/C13H22/c1-5-11(4)13-8-6-7-12(13)9-10(2)3/h6-8,10-12H,5,9H2,1-4H3
InChIKeyRPLABIIMHNGSJR-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.19
Rot. Bonds4

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

1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene (PubChem CID 169222897) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene
PubChem CID169222897
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene
SMILESCCC(C)C1=CC=CC1CC(C)C
InChIInChI=1S/C13H22/c1-5-11(4)13-8-6-7-12(13)9-10(2)3/h6-8,10-12H,5,9H2,1-4H3
InChIKeyRPLABIIMHNGSJR-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
CID 141345904
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
CID 142008819
(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
CID 140852530
1-[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 141345898
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
butan-2-ylcyclooctatetraene
CID 102596704
(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 15204285
1,2,3,4,5,6-hexa(butan-2-yl)benzene
CID 21482675
7-butan-2-yl-3-methylcyclohepta-1,3,5-triene
CID 123535959
2-ethyl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 159430648
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene?
The IUPAC name of 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene (CID 169222897) is 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene is CCC(C)C1=CC=CC1CC(C)C.
What is the InChIKey of 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene?
The InChIKey is RPLABIIMHNGSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-11(4)13-8-6-7-12(13)9-10(2)3/h6-8,10-12H,5,9H2,1-4H3.
What are the key properties of 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene?
1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 169222897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).