hexane;propane;prop-1-ene

C12H28 — CID 143913803

IUPAChexane;propane;prop-1-ene
SMILESC=CC.CCC.CCCCCC
InChIInChI=1S/C6H14.C3H8.C3H6/c1-3-5-6-4-2;2*1-3-2/h3-6H2,1-2H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyTXAPWOLJRMHBLG-UHFFFAOYSA-N
MW172.36 g/mol
LogP5.20
Rot. Bonds3

About hexane;propane;prop-1-ene

hexane;propane;prop-1-ene (PubChem CID 143913803) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is hexane;propane;prop-1-ene.

Molecular Properties

Compound Namehexane;propane;prop-1-ene
PubChem CID143913803
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Namehexane;propane;prop-1-ene
SMILESC=CC.CCC.CCCCCC
InChIInChI=1S/C6H14.C3H8.C3H6/c1-3-5-6-4-2;2*1-3-2/h3-6H2,1-2H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyTXAPWOLJRMHBLG-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;prop-1-ene;undecane
CID 171541850
butane;pentane;prop-1-ene
CID 144903825
butane;ethane;propane;prop-1-ene
CID 143366707
decane;pentan-1-ol;prop-1-ene
CID 174418987
ethenol;hexane
CID 22706833
pentane;phosphorous acid;prop-1-ene
CID 173293015
butan-1-amine;prop-1-ene
CID 87407220
ethenol;heptadecane
CID 158851930
ethane;bis(hexane);propane
CID 173306816
bis(hexane);methane;propane
CID 158581590
hexane;pentane;propane
CID 165146348
prop-1-ene;tetradecylhydrazine
CID 88793277

Frequently Asked Questions

What is the IUPAC name of hexane;propane;prop-1-ene?
The IUPAC name of hexane;propane;prop-1-ene (CID 143913803) is hexane;propane;prop-1-ene.
What is the SMILES notation for hexane;propane;prop-1-ene?
The canonical SMILES for hexane;propane;prop-1-ene is C=CC.CCC.CCCCCC.
What is the InChIKey of hexane;propane;prop-1-ene?
The InChIKey is TXAPWOLJRMHBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H8.C3H6/c1-3-5-6-4-2;2*1-3-2/h3-6H2,1-2H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of hexane;propane;prop-1-ene?
hexane;propane;prop-1-ene has a molecular weight of 172.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;propane;prop-1-ene is sourced from PubChem (CID 143913803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).