1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane

C10H18 — CID 123162603

IUPAC1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)C1(C)C2C(C)C21C
InChIInChI=1S/C10H18/c1-6(2)9(4)8-7(3)10(8,9)5/h6-8H,1-5H3
InChIKeyWCHFDXNCPWTSJL-UHFFFAOYSA-N
MW138.25 g/mol
LogP2.93
Rot. Bonds1

About 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane

1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 123162603) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane
PubChem CID123162603
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)C1(C)C2C(C)C21C
InChIInChI=1S/C10H18/c1-6(2)9(4)8-7(3)10(8,9)5/h6-8H,1-5H3
InChIKeyWCHFDXNCPWTSJL-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane
CID 123893883
1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
CID 91019597
1,2,3,4-tetramethyl-1-propan-2-ylcyclobutane
CID 91260634
1-ethyl-1,2,3-trimethyl-2-propan-2-ylcyclopropane
CID 91546237
1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
CID 91370264
1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane
CID 123267529
(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
CID 163529293
1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium
CID 123326864
4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine
CID 126538731
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 121274055
2-methyl-2,3-di(propan-2-yl)oxirane
CID 18716113

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane (CID 123162603) is 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane is CC(C)C1(C)C2C(C)C21C.
What is the InChIKey of 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is WCHFDXNCPWTSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6(2)9(4)8-7(3)10(8,9)5/h6-8H,1-5H3.
What are the key properties of 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 138.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 123162603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).