1-(2-methylpropyl)bicyclo[1.1.0]butane

C8H14 — CID 90914425

IUPAC1-(2-methylpropyl)bicyclo[1.1.0]butane
SMILESCC(C)CC12CC1C2
InChIInChI=1S/C8H14/c1-6(2)3-8-4-7(8)5-8/h6-7H,3-5H2,1-2H3
InChIKeyIKKMJRLMACMKQL-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-methylpropyl)bicyclo[1.1.0]butane

1-(2-methylpropyl)bicyclo[1.1.0]butane (PubChem CID 90914425) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-(2-methylpropyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-(2-methylpropyl)bicyclo[1.1.0]butane
PubChem CID90914425
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-(2-methylpropyl)bicyclo[1.1.0]butane
SMILESCC(C)CC12CC1C2
InChIInChI=1S/C8H14/c1-6(2)3-8-4-7(8)5-8/h6-7H,3-5H2,1-2H3
InChIKeyIKKMJRLMACMKQL-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4S,6S)-4-(hydroxymethyl)-1-(2-methylpropyl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 66770166
1-(2-methylpropyl)-3-azabicyclo[3.2.0]heptane
CID 84763447
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
1,2,2,3-tetramethyl-1-(2-methylpropyl)cyclobutane
CID 123680951
1,2,3-trimethyl-1-(2-methylpropyl)cyclobutane
CID 91220382
[2,2-bis(2-methylpropyl)cyclopropyl]methanamine
CID 114868694
1-(2-methylpropyl)-2-propan-2-ylcyclopropan-1-ol
CID 141284880
4-(2-methylpropyl)adamantane-1,4-diol
CID 139814602
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248
2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
CID 123732061
1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane
CID 123640401
[3,3,5-trimethyl-5-(2-methylpropyl)cyclohexyl] cyanate
CID 162758456

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)bicyclo[1.1.0]butane?
The IUPAC name of 1-(2-methylpropyl)bicyclo[1.1.0]butane (CID 90914425) is 1-(2-methylpropyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-(2-methylpropyl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-(2-methylpropyl)bicyclo[1.1.0]butane is CC(C)CC12CC1C2.
What is the InChIKey of 1-(2-methylpropyl)bicyclo[1.1.0]butane?
The InChIKey is IKKMJRLMACMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6(2)3-8-4-7(8)5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)bicyclo[1.1.0]butane?
1-(2-methylpropyl)bicyclo[1.1.0]butane has a molecular weight of 110.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 90914425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).