1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane

C16H32 — CID 123628680

IUPAC1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane
SMILESCCCC1C(C)CC(C)(C(C)CC)C1CC
InChIInChI=1S/C16H32/c1-7-10-14-12(4)11-16(6,13(5)8-2)15(14)9-3/h12-15H,7-11H2,1-6H3
InChIKeySLLOBYIQCXOAAQ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.52
Rot. Bonds5

About 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane

1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane (PubChem CID 123628680) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane
PubChem CID123628680
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane
SMILESCCCC1C(C)CC(C)(C(C)CC)C1CC
InChIInChI=1S/C16H32/c1-7-10-14-12(4)11-16(6,13(5)8-2)15(14)9-3/h12-15H,7-11H2,1-6H3
InChIKeySLLOBYIQCXOAAQ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
CID 123430128
1-butan-2-yl-3-hexyl-1,2-dimethylcyclobutane
CID 123458132
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
CID 59033980
2-butan-2-yl-5-ethyl-2-methylbicyclo[2.2.0]hexane
CID 123515409
2-ethyl-1-methyl-1-propan-2-yl-3-propylcyclopropane
CID 123845526
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
CID 62388831
1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
CID 91437599
1,2-diethyl-1-methyl-3-propylcyclopropane
CID 90731440
2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
CID 123763247
1,2-dimethyl-1-(4-methylhexan-2-yl)cyclopropane
CID 123932915
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane?
The IUPAC name of 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane (CID 123628680) is 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane.
What is the SMILES notation for 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane?
The canonical SMILES for 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane is CCCC1C(C)CC(C)(C(C)CC)C1CC.
What is the InChIKey of 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane?
The InChIKey is SLLOBYIQCXOAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-10-14-12(4)11-16(6,13(5)8-2)15(14)9-3/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane?
1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane has a molecular weight of 224.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane is sourced from PubChem (CID 123628680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).