1-butan-2-yl-2-pentan-3-ylcyclopentane

C14H28 — CID 123672278

IUPAC1-butan-2-yl-2-pentan-3-ylcyclopentane
SMILESCCC(C)C1CCCC1C(CC)CC
InChIInChI=1S/C14H28/c1-5-11(4)13-9-8-10-14(13)12(6-2)7-3/h11-14H,5-10H2,1-4H3
InChIKeyFHEJMAUGLOBGGF-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds5

About 1-butan-2-yl-2-pentan-3-ylcyclopentane

1-butan-2-yl-2-pentan-3-ylcyclopentane (PubChem CID 123672278) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-pentan-3-ylcyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-2-pentan-3-ylcyclopentane
PubChem CID123672278
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-butan-2-yl-2-pentan-3-ylcyclopentane
SMILESCCC(C)C1CCCC1C(CC)CC
InChIInChI=1S/C14H28/c1-5-11(4)13-9-8-10-14(13)12(6-2)7-3/h11-14H,5-10H2,1-4H3
InChIKeyFHEJMAUGLOBGGF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-Dimethylnonane
CID 86541
(1alpha,2alpha,4beta)-1,2,4-Trimethylcyclopentane
CID 17779
1,2,3-Trimethylcyclopentane
CID 35368
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
Isobutylcyclopentane
CID 77414
(1R,2S)-1-heptyl-2-octylcyclopentane
CID 107873
Propylcyclopentane
CID 16270
Octane, 2,3,7-trimethyl-
CID 43867
3,4-Dimethyloctane
CID 85926
Pentylcyclopentane
CID 19540
Decylcyclopentane
CID 137211
Cyclopentane, 1-butyl-2-propyl-
CID 112469

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-pentan-3-ylcyclopentane?
The IUPAC name of 1-butan-2-yl-2-pentan-3-ylcyclopentane (CID 123672278) is 1-butan-2-yl-2-pentan-3-ylcyclopentane.
What is the SMILES notation for 1-butan-2-yl-2-pentan-3-ylcyclopentane?
The canonical SMILES for 1-butan-2-yl-2-pentan-3-ylcyclopentane is CCC(C)C1CCCC1C(CC)CC.
What is the InChIKey of 1-butan-2-yl-2-pentan-3-ylcyclopentane?
The InChIKey is FHEJMAUGLOBGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-11(4)13-9-8-10-14(13)12(6-2)7-3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-pentan-3-ylcyclopentane?
1-butan-2-yl-2-pentan-3-ylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 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-pentan-3-ylcyclopentane is sourced from PubChem (CID 123672278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).