acetylene;cyclopropane;ethane;3-methylbut-1-ene

C12H24 — CID 144527433

IUPACacetylene;cyclopropane;ethane;3-methylbut-1-ene
SMILESC#C.C1CC1.C=CC(C)C.CC
InChIInChI=1S/C5H10.C3H6.C2H6.C2H2/c1-4-5(2)3;1-2-3-1;2*1-2/h4-5H,1H2,2-3H3;1-3H2;1-2H3;1-2H
InChIKeyZAIKLUVJMIEHRL-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds1

About acetylene;cyclopropane;ethane;3-methylbut-1-ene

acetylene;cyclopropane;ethane;3-methylbut-1-ene (PubChem CID 144527433) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is acetylene;cyclopropane;ethane;3-methylbut-1-ene.

Molecular Properties

Compound Nameacetylene;cyclopropane;ethane;3-methylbut-1-ene
PubChem CID144527433
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameacetylene;cyclopropane;ethane;3-methylbut-1-ene
SMILESC#C.C1CC1.C=CC(C)C.CC
InChIInChI=1S/C5H10.C3H6.C2H6.C2H2/c1-4-5(2)3;1-2-3-1;2*1-2/h4-5H,1H2,2-3H3;1-3H2;1-2H3;1-2H
InChIKeyZAIKLUVJMIEHRL-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;3-methylbut-1-ene
CID 145381296
3-methylbut-1-ene;hydrobromide
CID 158395600
methanamine;3-methylbut-1-ene
CID 161011072
but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane
CID 166106130
cyclobutane;ethane;prop-1-ene
CID 142065281
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
ethane;3-methylpenta-1,4-diene
CID 144868161
cyclohexane;ethenol
CID 168894099
cyclobutane;ethane;methane;bis(2-methylpropane)
CID 159966273
cyclopropane;ethane
CID 143364855
cyclopropane;ethane
CID 158116673
cyclopropane;ethane
CID 158590246

Frequently Asked Questions

What is the IUPAC name of acetylene;cyclopropane;ethane;3-methylbut-1-ene?
The IUPAC name of acetylene;cyclopropane;ethane;3-methylbut-1-ene (CID 144527433) is acetylene;cyclopropane;ethane;3-methylbut-1-ene.
What is the SMILES notation for acetylene;cyclopropane;ethane;3-methylbut-1-ene?
The canonical SMILES for acetylene;cyclopropane;ethane;3-methylbut-1-ene is C#C.C1CC1.C=CC(C)C.CC.
What is the InChIKey of acetylene;cyclopropane;ethane;3-methylbut-1-ene?
The InChIKey is ZAIKLUVJMIEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C3H6.C2H6.C2H2/c1-4-5(2)3;1-2-3-1;2*1-2/h4-5H,1H2,2-3H3;1-3H2;1-2H3;1-2H.
What are the key properties of acetylene;cyclopropane;ethane;3-methylbut-1-ene?
acetylene;cyclopropane;ethane;3-methylbut-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;cyclopropane;ethane;3-methylbut-1-ene is sourced from PubChem (CID 144527433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).