cyclopropane;ethylcyclobutane;propane

C12H26 — CID 142456817

IUPACcyclopropane;ethylcyclobutane;propane
SMILESC1CC1.CCC.CCC1CCC1
InChIInChI=1S/C6H12.C3H6.C3H8/c1-2-6-4-3-5-6;1-2-3-1;1-3-2/h6H,2-5H2,1H3;1-3H2;3H2,1-2H3
InChIKeyNRJWCQJTSNNTFL-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.78
Rot. Bonds1

About cyclopropane;ethylcyclobutane;propane

cyclopropane;ethylcyclobutane;propane (PubChem CID 142456817) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is cyclopropane;ethylcyclobutane;propane.

Molecular Properties

Compound Namecyclopropane;ethylcyclobutane;propane
PubChem CID142456817
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namecyclopropane;ethylcyclobutane;propane
SMILESC1CC1.CCC.CCC1CCC1
InChIInChI=1S/C6H12.C3H6.C3H8/c1-2-6-4-3-5-6;1-2-3-1;1-3-2/h6H,2-5H2,1H3;1-3H2;3H2,1-2H3
InChIKeyNRJWCQJTSNNTFL-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;ethene;ethylcyclobutane
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CID 158476891
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcyclopentane;methane
CID 143390575
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CID 160752471
ethane;bis(ethylcyclopentane)
CID 158911237
ethylcyclohexane;formonitrile
CID 174889190
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CID 142068671
magnesium;carbanide;bis(ethylcyclopentane)
CID 121233150

Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethylcyclobutane;propane?
The IUPAC name of cyclopropane;ethylcyclobutane;propane (CID 142456817) is cyclopropane;ethylcyclobutane;propane.
What is the SMILES notation for cyclopropane;ethylcyclobutane;propane?
The canonical SMILES for cyclopropane;ethylcyclobutane;propane is C1CC1.CCC.CCC1CCC1.
What is the InChIKey of cyclopropane;ethylcyclobutane;propane?
The InChIKey is NRJWCQJTSNNTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H6.C3H8/c1-2-6-4-3-5-6;1-2-3-1;1-3-2/h6H,2-5H2,1H3;1-3H2;3H2,1-2H3.
What are the key properties of cyclopropane;ethylcyclobutane;propane?
cyclopropane;ethylcyclobutane;propane has a molecular weight of 170.34 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethylcyclobutane;propane is sourced from PubChem (CID 142456817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).