2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane

C17H34 — CID 123269538

IUPAC2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
SMILESCCCC1CC(C(C)CC)C1(C)CC(C)CC
InChIInChI=1S/C17H34/c1-7-10-15-11-16(14(5)9-3)17(15,6)12-13(4)8-2/h13-16H,7-12H2,1-6H3
InChIKeySPPOFJBNUCWFHV-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.91
Rot. Bonds7

About 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane

2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane (PubChem CID 123269538) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane.

Molecular Properties

Compound Name2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
PubChem CID123269538
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
SMILESCCCC1CC(C(C)CC)C1(C)CC(C)CC
InChIInChI=1S/C17H34/c1-7-10-15-11-16(14(5)9-3)17(15,6)12-13(4)8-2/h13-16H,7-12H2,1-6H3
InChIKeySPPOFJBNUCWFHV-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
CID 123673785
1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane
CID 123262126
1-butan-2-yl-3-propylcyclopentane
CID 123336585
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 162292361
2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
1-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 63407800
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
1-(2-methylbutyl)-2-propylcyclopropane
CID 90912055
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
CID 123868071
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
CID 123785816
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane?
The IUPAC name of 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane (CID 123269538) is 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane.
What is the SMILES notation for 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane?
The canonical SMILES for 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane is CCCC1CC(C(C)CC)C1(C)CC(C)CC.
What is the InChIKey of 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane?
The InChIKey is SPPOFJBNUCWFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-10-15-11-16(14(5)9-3)17(15,6)12-13(4)8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane?
2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane has a molecular weight of 238.46 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane is sourced from PubChem (CID 123269538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).