1-butyl-2-ethylcyclopropane;2-methylbutane;propane

C20H46 — CID 143683372

IUPAC1-butyl-2-ethylcyclopropane;2-methylbutane;propane
SMILESCCC.CCC.CCC(C)C.CCCCC1CC1CC
InChIInChI=1S/C9H18.C5H12.2C3H8/c1-3-5-6-9-7-8(9)4-2;1-4-5(2)3;2*1-3-2/h8-9H,3-7H2,1-2H3;5H,4H2,1-3H3;2*3H2,1-2H3
InChIKeyFZWOEYWOEIUWIP-UHFFFAOYSA-N
MW286.59 g/mol
LogP8.11
Rot. Bonds5

About 1-butyl-2-ethylcyclopropane;2-methylbutane;propane

1-butyl-2-ethylcyclopropane;2-methylbutane;propane (PubChem CID 143683372) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is 1-butyl-2-ethylcyclopropane;2-methylbutane;propane.

Molecular Properties

Compound Name1-butyl-2-ethylcyclopropane;2-methylbutane;propane
PubChem CID143683372
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Name1-butyl-2-ethylcyclopropane;2-methylbutane;propane
SMILESCCC.CCC.CCC(C)C.CCCCC1CC1CC
InChIInChI=1S/C9H18.C5H12.2C3H8/c1-3-5-6-9-7-8(9)4-2;1-4-5(2)3;2*1-3-2/h8-9H,3-7H2,1-2H3;5H,4H2,1-3H3;2*3H2,1-2H3
InChIKeyFZWOEYWOEIUWIP-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
CID 142190190
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
(2-butylcyclopropyl)methanamine
CID 90757424
1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethylcyclopropane;2-methylbutane;propane?
The IUPAC name of 1-butyl-2-ethylcyclopropane;2-methylbutane;propane (CID 143683372) is 1-butyl-2-ethylcyclopropane;2-methylbutane;propane.
What is the SMILES notation for 1-butyl-2-ethylcyclopropane;2-methylbutane;propane?
The canonical SMILES for 1-butyl-2-ethylcyclopropane;2-methylbutane;propane is CCC.CCC.CCC(C)C.CCCCC1CC1CC.
What is the InChIKey of 1-butyl-2-ethylcyclopropane;2-methylbutane;propane?
The InChIKey is FZWOEYWOEIUWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H12.2C3H8/c1-3-5-6-9-7-8(9)4-2;1-4-5(2)3;2*1-3-2/h8-9H,3-7H2,1-2H3;5H,4H2,1-3H3;2*3H2,1-2H3.
What are the key properties of 1-butyl-2-ethylcyclopropane;2-methylbutane;propane?
1-butyl-2-ethylcyclopropane;2-methylbutane;propane has a molecular weight of 286.59 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethylcyclopropane;2-methylbutane;propane is sourced from PubChem (CID 143683372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).