ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane

C33H88 — CID 143337610

IUPACethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC=CCC.CCC.CCC(C)C
InChIInChI=1S/C5H12.C5H10.C4H10.C3H8.8C2H6/c1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-2;8*1-2/h5H,4H2,1-3H3;3,5H,4H2,1-2H3;4H,1-3H3;3H2,1-2H3;8*1-2H3
InChIKeyWOKRFQNGCANVIV-UHFFFAOYSA-N
MW485.07 g/mol
LogP15.31
Rot. Bonds2

About ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane

ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane (PubChem CID 143337610) has the molecular formula C33H88 and a molecular weight of 485.07 g/mol. Its IUPAC name is ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane.

Molecular Properties

Compound Nameethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
PubChem CID143337610
Molecular FormulaC33H88
Molecular Weight485.07 g/mol
Exact Mass484.69
IUPAC Nameethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC=CCC.CCC.CCC(C)C
InChIInChI=1S/C5H12.C5H10.C4H10.C3H8.8C2H6/c1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-2;8*1-2/h5H,4H2,1-3H3;3,5H,4H2,1-2H3;4H,1-3H3;3H2,1-2H3;8*1-2H3
InChIKeyWOKRFQNGCANVIV-UHFFFAOYSA-N
XLogP15.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.07
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(E)-pent-2-ene
CID 154666573
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
ethane;5-methylhex-2-ene;propane
CID 143336274
ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane
CID 158815784
ethane;methane;2-methylbutane;propane
CID 162144061
ethane;ethene;2-methylbutane;propane
CID 142006499
CID 164983427
CID 164983427
but-1-ene;(Z)-pent-2-ene
CID 156866422
ethane;(E)-5-methylhex-2-ene
CID 143114143
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane?
The IUPAC name of ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane (CID 143337610) is ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane.
What is the SMILES notation for ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane?
The canonical SMILES for ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC=CCC.CCC.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane?
The InChIKey is WOKRFQNGCANVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C5H10.C4H10.C3H8.8C2H6/c1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-2;8*1-2/h5H,4H2,1-3H3;3,5H,4H2,1-2H3;4H,1-3H3;3H2,1-2H3;8*1-2H3.
What are the key properties of ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane?
ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane has a molecular weight of 485.07 g/mol, XLogP of 15.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane is sourced from PubChem (CID 143337610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).