2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane

C14H28 — CID 123619623

IUPAC2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
SMILESCCCCC1C(C)CC(C(C)C)C1C
InChIInChI=1S/C14H28/c1-6-7-8-13-11(4)9-14(10(2)3)12(13)5/h10-14H,6-9H2,1-5H3
InChIKeyMYMJEKJSNUAUSR-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds4

About 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane

2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane (PubChem CID 123619623) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane.

Molecular Properties

Compound Name2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
PubChem CID123619623
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
SMILESCCCCC1C(C)CC(C(C)C)C1C
InChIInChI=1S/C14H28/c1-6-7-8-13-11(4)9-14(10(2)3)12(13)5/h10-14H,6-9H2,1-5H3
InChIKeyMYMJEKJSNUAUSR-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
CID 143683759
1-(3-ethylpentan-2-yl)-2-methylcyclopropane
CID 91445578
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane?
The IUPAC name of 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane (CID 123619623) is 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane.
What is the SMILES notation for 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane?
The canonical SMILES for 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane is CCCCC1C(C)CC(C(C)C)C1C.
What is the InChIKey of 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane?
The InChIKey is MYMJEKJSNUAUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-7-8-13-11(4)9-14(10(2)3)12(13)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane?
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane is sourced from PubChem (CID 123619623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).