1-methyl-3-propan-2-ylbicyclo[1.1.0]butane

C8H14 — CID 123793807

IUPAC1-methyl-3-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)C12CC1(C)C2
InChIInChI=1S/C8H14/c1-6(2)8-4-7(8,3)5-8/h6H,4-5H2,1-3H3
InChIKeyGVPNKDOVYPEABM-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds1

About 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane

1-methyl-3-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 123793807) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylbicyclo[1.1.0]butane
PubChem CID123793807
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-methyl-3-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)C12CC1(C)C2
InChIInChI=1S/C8H14/c1-6(2)8-4-7(8,3)5-8/h6H,4-5H2,1-3H3
InChIKeyGVPNKDOVYPEABM-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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CID 11381171
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(2S)-2-methyl-2-propan-2-ylaziridine
CID 148936760
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
1-methyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 134166265
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;tetrakis(2-methylpropane);1,3,5,7-tetra(propan-2-yl)adamantane
CID 158278227
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine
CID 138747101
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanol
CID 176865139
2-methyl(213C)propane
CID 11240418
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
CID 12600021
(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one
CID 165387418

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane (CID 123793807) is 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane is CC(C)C12CC1(C)C2.
What is the InChIKey of 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is GVPNKDOVYPEABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6(2)8-4-7(8,3)5-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane?
1-methyl-3-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 110.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 123793807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).