2-butan-2-yl-1-methyl-1-pentylcyclopropane

C13H26 — CID 123764144

IUPAC2-butan-2-yl-1-methyl-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1C(C)CC
InChIInChI=1S/C13H26/c1-5-7-8-9-13(4)10-12(13)11(3)6-2/h11-12H,5-10H2,1-4H3
InChIKeyUCNQKGZOYHEJID-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds6

About 2-butan-2-yl-1-methyl-1-pentylcyclopropane

2-butan-2-yl-1-methyl-1-pentylcyclopropane (PubChem CID 123764144) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-butan-2-yl-1-methyl-1-pentylcyclopropane.

Molecular Properties

Compound Name2-butan-2-yl-1-methyl-1-pentylcyclopropane
PubChem CID123764144
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-butan-2-yl-1-methyl-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1C(C)CC
InChIInChI=1S/C13H26/c1-5-7-8-9-13(4)10-12(13)11(3)6-2/h11-12H,5-10H2,1-4H3
InChIKeyUCNQKGZOYHEJID-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
CID 123964295
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
CID 123620432
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
CID 123673785
CID 123789898
CID 123789898
(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
CID 123785816
17-butan-2-yl-7-butyl-7,10,13,14-tetramethyl-2,3,4,5,6,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 156896886
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-methyl-1-pentylcyclopropane?
The IUPAC name of 2-butan-2-yl-1-methyl-1-pentylcyclopropane (CID 123764144) is 2-butan-2-yl-1-methyl-1-pentylcyclopropane.
What is the SMILES notation for 2-butan-2-yl-1-methyl-1-pentylcyclopropane?
The canonical SMILES for 2-butan-2-yl-1-methyl-1-pentylcyclopropane is CCCCCC1(C)CC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-methyl-1-pentylcyclopropane?
The InChIKey is UCNQKGZOYHEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-8-9-13(4)10-12(13)11(3)6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-methyl-1-pentylcyclopropane?
2-butan-2-yl-1-methyl-1-pentylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-methyl-1-pentylcyclopropane is sourced from PubChem (CID 123764144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).