(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene

C17H24 — CID 57172293

IUPAC(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
SMILESCC(CC1CCC1)(CC1CC1)c1ccccc1
InChIInChI=1S/C17H24/c1-17(13-15-10-11-15,12-14-6-5-7-14)16-8-3-2-4-9-16/h2-4,8-9,14-15H,5-7,10-13H2,1H3
InChIKeyBONFRUXQJULAMH-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.93
Rot. Bonds5

About (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene

(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene (PubChem CID 57172293) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
PubChem CID57172293
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
SMILESCC(CC1CCC1)(CC1CC1)c1ccccc1
InChIInChI=1S/C17H24/c1-17(13-15-10-11-15,12-14-6-5-7-14)16-8-3-2-4-9-16/h2-4,8-9,14-15H,5-7,10-13H2,1H3
InChIKeyBONFRUXQJULAMH-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene?
The IUPAC name of (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene (CID 57172293) is (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene.
What is the SMILES notation for (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene?
The canonical SMILES for (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene is CC(CC1CCC1)(CC1CC1)c1ccccc1.
What is the InChIKey of (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene?
The InChIKey is BONFRUXQJULAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-17(13-15-10-11-15,12-14-6-5-7-14)16-8-3-2-4-9-16/h2-4,8-9,14-15H,5-7,10-13H2,1H3.
What are the key properties of (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene?
(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene has a molecular weight of 228.38 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 57172293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).