(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane

C11H22 — CID 162292361

IUPAC(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
SMILESCC[C@H]1CC(C(C)C)C1(C)C
InChIInChI=1S/C11H22/c1-6-9-7-10(8(2)3)11(9,4)5/h8-10H,6-7H2,1-5H3/t9-,10?/m0/s1
InChIKeyIWRJVBKWEXGBLB-RGURZIINSA-N
MW154.30 g/mol
LogP3.71
Rot. Bonds2

About (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane

(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane (PubChem CID 162292361) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane.

Molecular Properties

Compound Name(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
PubChem CID162292361
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
SMILESCC[C@H]1CC(C(C)C)C1(C)C
InChIInChI=1S/C11H22/c1-6-9-7-10(8(2)3)11(9,4)5/h8-10H,6-7H2,1-5H3/t9-,10?/m0/s1
InChIKeyIWRJVBKWEXGBLB-RGURZIINSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 155111483
2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
CID 123673785
2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
CID 90808288
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine
CID 118247212
2,2-dimethyl-3-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 164656547
1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
CID 123269538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane?
The IUPAC name of (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane (CID 162292361) is (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane.
What is the SMILES notation for (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane?
The canonical SMILES for (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane is CC[C@H]1CC(C(C)C)C1(C)C.
What is the InChIKey of (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane?
The InChIKey is IWRJVBKWEXGBLB-RGURZIINSA-N. The full InChI is InChI=1S/C11H22/c1-6-9-7-10(8(2)3)11(9,4)5/h8-10H,6-7H2,1-5H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane?
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane is sourced from PubChem (CID 162292361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).