2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane

C10H18 — CID 123152522

IUPAC2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
SMILESCCC(C)(C)CC1C2CC21
InChIInChI=1S/C10H18/c1-4-10(2,3)6-9-7-5-8(7)9/h7-9H,4-6H2,1-3H3
InChIKeyQBIPPEBNOIXJEV-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds3

About 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane

2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane (PubChem CID 123152522) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
PubChem CID123152522
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
SMILESCCC(C)(C)CC1C2CC21
InChIInChI=1S/C10H18/c1-4-10(2,3)6-9-7-5-8(7)9/h7-9H,4-6H2,1-3H3
InChIKeyQBIPPEBNOIXJEV-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-dimethylbutyl)-3-ethylcyclopentane
CID 91360585
1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
CID 123179974
5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
CID 123695523
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
CID 20743981
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098
5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane
CID 173215387
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane
CID 90974743

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane (CID 123152522) is 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane is CCC(C)(C)CC1C2CC21.
What is the InChIKey of 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane?
The InChIKey is QBIPPEBNOIXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-10(2,3)6-9-7-5-8(7)9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane?
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123152522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).