1-cyclobutylpentylbenzene

C15H22 — CID 90897767

IUPAC1-cyclobutylpentylbenzene
SMILESCCCCC(c1ccccc1)C1CCC1
InChIInChI=1S/C15H22/c1-2-3-12-15(14-10-7-11-14)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3
InChIKeyIGPXUDSMNYOROB-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.76
Rot. Bonds5

About 1-cyclobutylpentylbenzene

1-cyclobutylpentylbenzene (PubChem CID 90897767) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-cyclobutylpentylbenzene.

Molecular Properties

Compound Name1-cyclobutylpentylbenzene
PubChem CID90897767
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-cyclobutylpentylbenzene
SMILESCCCCC(c1ccccc1)C1CCC1
InChIInChI=1S/C15H22/c1-2-3-12-15(14-10-7-11-14)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3
InChIKeyIGPXUDSMNYOROB-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835
4-(4-methoxy-1-phenylbutyl)piperidin-1-amine
CID 174726761
[1-fluoro-4-(1-phenylbutyl)cyclohexyl]phosphane
CID 156542653
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpentylbenzene?
The IUPAC name of 1-cyclobutylpentylbenzene (CID 90897767) is 1-cyclobutylpentylbenzene.
What is the SMILES notation for 1-cyclobutylpentylbenzene?
The canonical SMILES for 1-cyclobutylpentylbenzene is CCCCC(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutylpentylbenzene?
The InChIKey is IGPXUDSMNYOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-2-3-12-15(14-10-7-11-14)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3.
What are the key properties of 1-cyclobutylpentylbenzene?
1-cyclobutylpentylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpentylbenzene is sourced from PubChem (CID 90897767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).