ethane;hex-1-ene;2-methylprop-1-ene;propane

C15H34 — CID 144528656

IUPACethane;hex-1-ene;2-methylprop-1-ene;propane
SMILESC=C(C)C.C=CCCCC.CC.CCC
InChIInChI=1S/C6H12.C4H8.C3H8.C2H6/c1-3-5-6-4-2;1-4(2)3;1-3-2;1-2/h3H,1,4-6H2,2H3;1H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyBOYWDFBPCXJFIL-UHFFFAOYSA-N
MW214.44 g/mol
LogP6.39
Rot. Bonds3

About ethane;hex-1-ene;2-methylprop-1-ene;propane

ethane;hex-1-ene;2-methylprop-1-ene;propane (PubChem CID 144528656) has the molecular formula C15H34 and a molecular weight of 214.44 g/mol. Its IUPAC name is ethane;hex-1-ene;2-methylprop-1-ene;propane.

Molecular Properties

Compound Nameethane;hex-1-ene;2-methylprop-1-ene;propane
PubChem CID144528656
Molecular FormulaC15H34
Molecular Weight214.44 g/mol
Exact Mass214.27
IUPAC Nameethane;hex-1-ene;2-methylprop-1-ene;propane
SMILESC=C(C)C.C=CCCCC.CC.CCC
InChIInChI=1S/C6H12.C4H8.C3H8.C2H6/c1-3-5-6-4-2;1-4(2)3;1-3-2;1-2/h3H,1,4-6H2,2H3;1H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyBOYWDFBPCXJFIL-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.44
LogP ≤ 56.39
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

7-Methyl-1,6-octadiene
CID 557579
2-Methyl-1,5-hexadiene
CID 19965
alpha-Myrcene
CID 519324
10-Demethylsqualene
CID 5352455
6-Methyl-1,6-heptadiene
CID 534918
6,10-Dimethyl-1,5,9-undecatriene
CID 91150
Ethene--hex-1-ene (1/1)
CID 168324
But-1-ene;ethene;hex-1-ene
CID 6454028
Propylene hexene-1 ethylene
CID 18705481
Propylene Hexene
CID 22386386
2-Butyl-1,4-pentadiene
CID 11446319
3-Methylene-1-octene
CID 11829433

Frequently Asked Questions

What is the IUPAC name of ethane;hex-1-ene;2-methylprop-1-ene;propane?
The IUPAC name of ethane;hex-1-ene;2-methylprop-1-ene;propane (CID 144528656) is ethane;hex-1-ene;2-methylprop-1-ene;propane.
What is the SMILES notation for ethane;hex-1-ene;2-methylprop-1-ene;propane?
The canonical SMILES for ethane;hex-1-ene;2-methylprop-1-ene;propane is C=C(C)C.C=CCCCC.CC.CCC.
What is the InChIKey of ethane;hex-1-ene;2-methylprop-1-ene;propane?
The InChIKey is BOYWDFBPCXJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8.C3H8.C2H6/c1-3-5-6-4-2;1-4(2)3;1-3-2;1-2/h3H,1,4-6H2,2H3;1H2,2-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;hex-1-ene;2-methylprop-1-ene;propane?
ethane;hex-1-ene;2-methylprop-1-ene;propane has a molecular weight of 214.44 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hex-1-ene;2-methylprop-1-ene;propane is sourced from PubChem (CID 144528656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).