4-cyclopropylbutylbenzene

C13H18 — CID 10261592

IUPAC4-cyclopropylbutylbenzene
SMILESc1ccc(CCCCC2CC2)cc1
InChIInChI=1S/C13H18/c1-2-6-12(7-3-1)8-4-5-9-13-10-11-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyYLHCRJJGVZWUGK-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.81
Rot. Bonds5

About 4-cyclopropylbutylbenzene

4-cyclopropylbutylbenzene (PubChem CID 10261592) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-cyclopropylbutylbenzene.

Molecular Properties

Compound Name4-cyclopropylbutylbenzene
PubChem CID10261592
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name4-cyclopropylbutylbenzene
SMILESc1ccc(CCCCC2CC2)cc1
InChIInChI=1S/C13H18/c1-2-6-12(7-3-1)8-4-5-9-13-10-11-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyYLHCRJJGVZWUGK-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropylpentylbenzene
CID 91089836
4-(4-phenylbutyl)cyclohexan-1-one
CID 147953036
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
4-phenylbutylbenzene
CID 141301927
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-cyclopropyl-6-phenylhexan-3-amine
CID 105157718
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
3-[[4-(4-phenylbutyl)cyclohexyl]amino]phenol
CID 163856195
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylbutylbenzene?
The IUPAC name of 4-cyclopropylbutylbenzene (CID 10261592) is 4-cyclopropylbutylbenzene.
What is the SMILES notation for 4-cyclopropylbutylbenzene?
The canonical SMILES for 4-cyclopropylbutylbenzene is c1ccc(CCCCC2CC2)cc1.
What is the InChIKey of 4-cyclopropylbutylbenzene?
The InChIKey is YLHCRJJGVZWUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-6-12(7-3-1)8-4-5-9-13-10-11-13/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 4-cyclopropylbutylbenzene?
4-cyclopropylbutylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylbutylbenzene is sourced from PubChem (CID 10261592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).