1,1-diethyl-3-propan-2-ylcyclobutane

C11H22 — CID 162172993

IUPAC1,1-diethyl-3-propan-2-ylcyclobutane
SMILESCCC1(CC)CC(C(C)C)C1
InChIInChI=1S/C11H22/c1-5-11(6-2)7-10(8-11)9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyGJKVMUOJCCPGAW-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds3

About 1,1-diethyl-3-propan-2-ylcyclobutane

1,1-diethyl-3-propan-2-ylcyclobutane (PubChem CID 162172993) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1-diethyl-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1,1-diethyl-3-propan-2-ylcyclobutane
PubChem CID162172993
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1-diethyl-3-propan-2-ylcyclobutane
SMILESCCC1(CC)CC(C(C)C)C1
InChIInChI=1S/C11H22/c1-5-11(6-2)7-10(8-11)9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyGJKVMUOJCCPGAW-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4-Trimethylheptane
CID 26839
2,2,4,6,6-Pentamethylheptane
CID 26058
2,2,3-Trimethyldecane
CID 112483
2,2,4,4,6-Pentamethylheptane
CID 112817
3,3,4-Trimethyldecane
CID 39499
2,2,3,3,5,6,6-Heptamethylheptane
CID 23652
Heptane, 2,5,5-trimethyl-
CID 14478
2,2,3-Trimethylnonane
CID 41461
4-Ethyl-2,2,6,6-tetramethylheptane
CID 43925
3,3,4-Trimethylheptane
CID 140668
tert-Butylcyclopentane
CID 520923
2,3,3-Trimethyloctane
CID 537321

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-propan-2-ylcyclobutane?
The IUPAC name of 1,1-diethyl-3-propan-2-ylcyclobutane (CID 162172993) is 1,1-diethyl-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1,1-diethyl-3-propan-2-ylcyclobutane?
The canonical SMILES for 1,1-diethyl-3-propan-2-ylcyclobutane is CCC1(CC)CC(C(C)C)C1.
What is the InChIKey of 1,1-diethyl-3-propan-2-ylcyclobutane?
The InChIKey is GJKVMUOJCCPGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-11(6-2)7-10(8-11)9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,1-diethyl-3-propan-2-ylcyclobutane?
1,1-diethyl-3-propan-2-ylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-propan-2-ylcyclobutane is sourced from PubChem (CID 162172993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).