but-1-ene;ethane;nonane

C19H46 — CID 170645806

IUPACbut-1-ene;ethane;nonane
SMILESC=CCC.CC.CC.CC.CCCCCCCCC
InChIInChI=1S/C9H20.C4H8.3C2H6/c1-3-5-7-9-8-6-4-2;1-3-4-2;3*1-2/h3-9H2,1-2H3;3H,1,4H2,2H3;3*1-2H3
InChIKeyQPCYOLAAHGOSGF-UHFFFAOYSA-N
MW274.58 g/mol
LogP8.42
Rot. Bonds7

About but-1-ene;ethane;nonane

but-1-ene;ethane;nonane (PubChem CID 170645806) has the molecular formula C19H46 and a molecular weight of 274.58 g/mol. Its IUPAC name is but-1-ene;ethane;nonane.

Molecular Properties

Compound Namebut-1-ene;ethane;nonane
PubChem CID170645806
Molecular FormulaC19H46
Molecular Weight274.58 g/mol
Exact Mass274.36
IUPAC Namebut-1-ene;ethane;nonane
SMILESC=CCC.CC.CC.CC.CCCCCCCCC
InChIInChI=1S/C9H20.C4H8.3C2H6/c1-3-5-7-9-8-6-4-2;1-3-4-2;3*1-2/h3-9H2,1-2H3;3H,1,4H2,2H3;3*1-2H3
InChIKeyQPCYOLAAHGOSGF-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.58
LogP ≤ 58.42
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

but-1-ene;ethane;pentane
CID 142205498
tetrakis(but-1-ene);oct-1-ene
CID 158942238
but-1-ene;hex-1-ene;bis(oct-1-ene)
CID 161126076
ethane;prop-1-ene;undecane
CID 171541850
but-1-ene;ethane;N-heptyl-N-methylheptan-1-amine
CID 172567126
1-bromododecane;prop-2-en-1-amine
CID 121418946
butane;bis(but-1-ene)
CID 160596310
but-1-ene;hexakis(hex-1-ene)
CID 161273113
ethane;octadecane
CID 143981738
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;nonane?
The IUPAC name of but-1-ene;ethane;nonane (CID 170645806) is but-1-ene;ethane;nonane.
What is the SMILES notation for but-1-ene;ethane;nonane?
The canonical SMILES for but-1-ene;ethane;nonane is C=CCC.CC.CC.CC.CCCCCCCCC.
What is the InChIKey of but-1-ene;ethane;nonane?
The InChIKey is QPCYOLAAHGOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C4H8.3C2H6/c1-3-5-7-9-8-6-4-2;1-3-4-2;3*1-2/h3-9H2,1-2H3;3H,1,4H2,2H3;3*1-2H3.
What are the key properties of but-1-ene;ethane;nonane?
but-1-ene;ethane;nonane has a molecular weight of 274.58 g/mol, XLogP of 8.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;nonane is sourced from PubChem (CID 170645806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).