1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane

C10H16 — CID 123359546

IUPAC1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane
SMILESCC1(C)CC1C12CC1(C)C2
InChIInChI=1S/C10H16/c1-8(2)4-7(8)10-5-9(10,3)6-10/h7H,4-6H2,1-3H3
InChIKeyPKYOXIDWGIYILF-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.83
Rot. Bonds1

About 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane

1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane (PubChem CID 123359546) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane
PubChem CID123359546
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane
SMILESCC1(C)CC1C12CC1(C)C2
InChIInChI=1S/C10H16/c1-8(2)4-7(8)10-5-9(10,3)6-10/h7H,4-6H2,1-3H3
InChIKeyPKYOXIDWGIYILF-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone
CID 130949680
(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol
CID 139085820
1,4,4-trimethylcyclopentane-1,3-diamine
CID 112757488
2,2,4,4,7,7-hexamethylazocan-5-amine
CID 130312303
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
CID 123705206
2,5-dimethylspiro[2.2]pentan-2-amine
CID 70451349
trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
CID 71370676
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
(3S)-2,2,5,5-tetramethylspiro[2.3]hexan-6-ol
CID 130634198

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane (CID 123359546) is 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane is CC1(C)CC1C12CC1(C)C2.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane?
The InChIKey is PKYOXIDWGIYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)4-7(8)10-5-9(10,3)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane?
1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane has a molecular weight of 136.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane is sourced from PubChem (CID 123359546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).