(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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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).