1-butyl-2-pentan-2-ylcyclopropane

C12H24 — CID 90836008

IUPAC1-butyl-2-pentan-2-ylcyclopropane
SMILESCCCCC1CC1C(C)CCC
InChIInChI=1S/C12H24/c1-4-6-8-11-9-12(11)10(3)7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyAQTRGZUVNKOROB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds6

About 1-butyl-2-pentan-2-ylcyclopropane

1-butyl-2-pentan-2-ylcyclopropane (PubChem CID 90836008) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-butyl-2-pentan-2-ylcyclopropane.

Molecular Properties

Compound Name1-butyl-2-pentan-2-ylcyclopropane
PubChem CID90836008
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-butyl-2-pentan-2-ylcyclopropane
SMILESCCCCC1CC1C(C)CCC
InChIInChI=1S/C12H24/c1-4-6-8-11-9-12(11)10(3)7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyAQTRGZUVNKOROB-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
CID 91373966
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
CID 123411322
1-butyl-2-ethyl-5-pentan-2-ylcycloheptane
CID 123958612
[(1R,2S)-2-butylcyclopropyl]-trimethylsilylmethanol
CID 139829557
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
CID 142190190

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-pentan-2-ylcyclopropane?
The IUPAC name of 1-butyl-2-pentan-2-ylcyclopropane (CID 90836008) is 1-butyl-2-pentan-2-ylcyclopropane.
What is the SMILES notation for 1-butyl-2-pentan-2-ylcyclopropane?
The canonical SMILES for 1-butyl-2-pentan-2-ylcyclopropane is CCCCC1CC1C(C)CCC.
What is the InChIKey of 1-butyl-2-pentan-2-ylcyclopropane?
The InChIKey is AQTRGZUVNKOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-8-11-9-12(11)10(3)7-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-butyl-2-pentan-2-ylcyclopropane?
1-butyl-2-pentan-2-ylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-pentan-2-ylcyclopropane is sourced from PubChem (CID 90836008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).