(1-butylcyclobutyl)benzene

C14H20 — CID 57200184

IUPAC(1-butylcyclobutyl)benzene
SMILESCCCCC1(c2ccccc2)CCC1
InChIInChI=1S/C14H20/c1-2-3-10-14(11-7-12-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyUPMFEDWZNPGLAO-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.30
Rot. Bonds4

About (1-butylcyclobutyl)benzene

(1-butylcyclobutyl)benzene (PubChem CID 57200184) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1-butylcyclobutyl)benzene.

Molecular Properties

Compound Name(1-butylcyclobutyl)benzene
PubChem CID57200184
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1-butylcyclobutyl)benzene
SMILESCCCCC1(c2ccccc2)CCC1
InChIInChI=1S/C14H20/c1-2-3-10-14(11-7-12-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyUPMFEDWZNPGLAO-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1-butylcyclobutyl)benzene?
The IUPAC name of (1-butylcyclobutyl)benzene (CID 57200184) is (1-butylcyclobutyl)benzene.
What is the SMILES notation for (1-butylcyclobutyl)benzene?
The canonical SMILES for (1-butylcyclobutyl)benzene is CCCCC1(c2ccccc2)CCC1.
What is the InChIKey of (1-butylcyclobutyl)benzene?
The InChIKey is UPMFEDWZNPGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-3-10-14(11-7-12-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3.
What are the key properties of (1-butylcyclobutyl)benzene?
(1-butylcyclobutyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclobutyl)benzene is sourced from PubChem (CID 57200184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).