ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane

C23H58O — CID 158815784

IUPACethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane
SMILESC.C.CC.CC=CCC.CCC.CCCC(C)C.CCCC(C)O
InChIInChI=1S/C6H14.C5H12O.C5H10.C3H8.C2H6.2CH4/c1-4-5-6(2)3;1-3-4-5(2)6;1-3-5-4-2;1-3-2;1-2;;/h6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;1-2H3;2*1H4
InChIKeyIVGCIBWHOJRBRP-UHFFFAOYSA-N
MW350.72 g/mol
LogP9.30
Rot. Bonds5

About ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane

ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane (PubChem CID 158815784) has the molecular formula C23H58O and a molecular weight of 350.72 g/mol. Its IUPAC name is ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane.

Molecular Properties

Compound Nameethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane
PubChem CID158815784
Molecular FormulaC23H58O
Molecular Weight350.72 g/mol
Exact Mass350.45
IUPAC Nameethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane
SMILESC.C.CC.CC=CCC.CCC.CCCC(C)C.CCCC(C)O
InChIInChI=1S/C6H14.C5H12O.C5H10.C3H8.C2H6.2CH4/c1-4-5-6(2)3;1-3-4-5(2)6;1-3-5-4-2;1-3-2;1-2;;/h6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;1-2H3;2*1H4
InChIKeyIVGCIBWHOJRBRP-UHFFFAOYSA-N
XLogP9.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.72
LogP ≤ 59.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane?
The IUPAC name of ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane (CID 158815784) is ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane.
What is the SMILES notation for ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane?
The canonical SMILES for ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane is C.C.CC.CC=CCC.CCC.CCCC(C)C.CCCC(C)O.
What is the InChIKey of ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane?
The InChIKey is IVGCIBWHOJRBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12O.C5H10.C3H8.C2H6.2CH4/c1-4-5-6(2)3;1-3-4-5(2)6;1-3-5-4-2;1-3-2;1-2;;/h6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane?
ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane has a molecular weight of 350.72 g/mol, XLogP of 9.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane is sourced from PubChem (CID 158815784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).