2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane

C14H28 — CID 123668668

IUPAC2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane
SMILESCC(C)C1CC(C)(C)C1(C)C(C)(C)C
InChIInChI=1S/C14H28/c1-10(2)11-9-13(6,7)14(11,8)12(3,4)5/h10-11H,9H2,1-8H3
InChIKeyNEJPVLLEIDXQTH-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds1

About 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane

2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane (PubChem CID 123668668) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane
PubChem CID123668668
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane
SMILESCC(C)C1CC(C)(C)C1(C)C(C)(C)C
InChIInChI=1S/C14H28/c1-10(2)11-9-13(6,7)14(11,8)12(3,4)5/h10-11H,9H2,1-8H3
InChIKeyNEJPVLLEIDXQTH-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
1-cyclopropyl-1-methyl-2-propan-2-ylcyclopropane
CID 123698843
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
CID 12600021
1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
CID 162220586
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide
CID 163545109
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105344
1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105935
1-ethyl-4-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123763181
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane?
The IUPAC name of 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane (CID 123668668) is 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane.
What is the SMILES notation for 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane?
The canonical SMILES for 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane is CC(C)C1CC(C)(C)C1(C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane?
The InChIKey is NEJPVLLEIDXQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)11-9-13(6,7)14(11,8)12(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane?
2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane is sourced from PubChem (CID 123668668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).