propane;prop-1-ene;prop-1-yne

C9H18 — CID 144517597

IUPACpropane;prop-1-ene;prop-1-yne
SMILESC#CC.C=CC.CCC
InChIInChI=1S/C3H8.C3H6.C3H4/c3*1-3-2/h3H2,1-2H3;3H,1H2,2H3;1H,2H3
InChIKeyRECMGCFGXIBQJI-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.25
Rot. Bonds

About propane;prop-1-ene;prop-1-yne

propane;prop-1-ene;prop-1-yne (PubChem CID 144517597) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is propane;prop-1-ene;prop-1-yne.

Molecular Properties

Compound Namepropane;prop-1-ene;prop-1-yne
PubChem CID144517597
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namepropane;prop-1-ene;prop-1-yne
SMILESC#CC.C=CC.CCC
InChIInChI=1S/C3H8.C3H6.C3H4/c3*1-3-2/h3H2,1-2H3;3H,1H2,2H3;1H,2H3
InChIKeyRECMGCFGXIBQJI-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.25
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

butane;ethane;propane;prop-1-ene
CID 143366707
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
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hexane;propane;prop-1-ene
CID 143913803
prop-1-ene
CID 162178440
ethylphosphane;prop-1-ene
CID 91599859
ethanamine;prop-1-ene
CID 142862814
prop-2-enenitrile;prop-1-yne
CID 141109996
propane;propan-2-one;prop-1-ene
CID 160807834
azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne
CID 143376681
butane;ethane;ethene;prop-1-ene
CID 144524801
CID 171377879
CID 171377879
ethene;tetrakis(prop-1-ene)
CID 158667737

Frequently Asked Questions

What is the IUPAC name of propane;prop-1-ene;prop-1-yne?
The IUPAC name of propane;prop-1-ene;prop-1-yne (CID 144517597) is propane;prop-1-ene;prop-1-yne.
What is the SMILES notation for propane;prop-1-ene;prop-1-yne?
The canonical SMILES for propane;prop-1-ene;prop-1-yne is C#CC.C=CC.CCC.
What is the InChIKey of propane;prop-1-ene;prop-1-yne?
The InChIKey is RECMGCFGXIBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C3H6.C3H4/c3*1-3-2/h3H2,1-2H3;3H,1H2,2H3;1H,2H3.
What are the key properties of propane;prop-1-ene;prop-1-yne?
propane;prop-1-ene;prop-1-yne has a molecular weight of 126.24 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;prop-1-ene;prop-1-yne is sourced from PubChem (CID 144517597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).