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

C15H36 — CID 145358355

IUPACethane;hexane;2-methylprop-1-ene;propane
SMILESC=C(C)C.CC.CCC.CCCCCC
InChIInChI=1S/C6H14.C4H8.C3H8.C2H6/c1-3-5-6-4-2;1-4(2)3;1-3-2;1-2/h3-6H2,1-2H3;1H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyRSNKXNXOXCZTLG-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.61
Rot. Bonds3

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

ethane;hexane;2-methylprop-1-ene;propane (PubChem CID 145358355) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is ethane;hexane;2-methylprop-1-ene;propane.

Molecular Properties

Compound Nameethane;hexane;2-methylprop-1-ene;propane
PubChem CID145358355
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Nameethane;hexane;2-methylprop-1-ene;propane
SMILESC=C(C)C.CC.CCC.CCCCCC
InChIInChI=1S/C6H14.C4H8.C3H8.C2H6/c1-3-5-6-4-2;1-4(2)3;1-3-2;1-2/h3-6H2,1-2H3;1H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyRSNKXNXOXCZTLG-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.61
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

butane;ethane;2-methylprop-1-ene
CID 142168819
ethane;bis(hexane);propane
CID 173306816
bis(2-methylprop-1-ene);propane
CID 159493997
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
ethane;tris(heptane);propane
CID 158842848
butane;ethane;hexane;propane
CID 167704000
ethane;2-methyloct-1-ene
CID 143077596
1-dodecylsulfanyldodecane;2-methylprop-1-ene
CID 88731676
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2-methyltetradec-1-ene
CID 521375

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;2-methylprop-1-ene;propane?
The IUPAC name of ethane;hexane;2-methylprop-1-ene;propane (CID 145358355) is ethane;hexane;2-methylprop-1-ene;propane.
What is the SMILES notation for ethane;hexane;2-methylprop-1-ene;propane?
The canonical SMILES for ethane;hexane;2-methylprop-1-ene;propane is C=C(C)C.CC.CCC.CCCCCC.
What is the InChIKey of ethane;hexane;2-methylprop-1-ene;propane?
The InChIKey is RSNKXNXOXCZTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H8.C3H8.C2H6/c1-3-5-6-4-2;1-4(2)3;1-3-2;1-2/h3-6H2,1-2H3;1H2,2-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;hexane;2-methylprop-1-ene;propane?
ethane;hexane;2-methylprop-1-ene;propane has a molecular weight of 216.45 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;2-methylprop-1-ene;propane is sourced from PubChem (CID 145358355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).