2,3-dimethylpent-2-ene;propane

C13H30 — CID 162031516

IUPAC2,3-dimethylpent-2-ene;propane
SMILESCCC.CCC.CCC(C)=C(C)C
InChIInChI=1S/C7H14.2C3H8/c1-5-7(4)6(2)3;2*1-3-2/h5H2,1-4H3;2*3H2,1-2H3
InChIKeyYWBVMMJMZCBAFO-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.59
Rot. Bonds1

About 2,3-dimethylpent-2-ene;propane

2,3-dimethylpent-2-ene;propane (PubChem CID 162031516) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 2,3-dimethylpent-2-ene;propane.

Molecular Properties

Compound Name2,3-dimethylpent-2-ene;propane
PubChem CID162031516
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name2,3-dimethylpent-2-ene;propane
SMILESCCC.CCC.CCC(C)=C(C)C
InChIInChI=1S/C7H14.2C3H8/c1-5-7(4)6(2)3;2*1-3-2/h5H2,1-4H3;2*3H2,1-2H3
InChIKeyYWBVMMJMZCBAFO-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.59
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

azane;2,3-dimethylpent-2-ene
CID 87285665
2,3-dimethylpent-2-ene;hydrazine
CID 87640391
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
(E)-2,3-dimethylpent-2-enenitrile
CID 15561853
2,3-dimethylpent-2-en-1-ol
CID 54207252
2,3-dimethylhex-2-ene;ethane
CID 144601748
(E)-4-methylhex-3-en-3-amine
CID 129020883
3-methylpent-2-ene-1,2-diol
CID 76549782
(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
hydrogen peroxide;propane
CID 18348147
2,3,8,9-tetramethyldeca-2,8-diene
CID 14968821
butan-2-one;ethane;propane
CID 169173049

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-2-ene;propane?
The IUPAC name of 2,3-dimethylpent-2-ene;propane (CID 162031516) is 2,3-dimethylpent-2-ene;propane.
What is the SMILES notation for 2,3-dimethylpent-2-ene;propane?
The canonical SMILES for 2,3-dimethylpent-2-ene;propane is CCC.CCC.CCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethylpent-2-ene;propane?
The InChIKey is YWBVMMJMZCBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C3H8/c1-5-7(4)6(2)3;2*1-3-2/h5H2,1-4H3;2*3H2,1-2H3.
What are the key properties of 2,3-dimethylpent-2-ene;propane?
2,3-dimethylpent-2-ene;propane has a molecular weight of 186.38 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-2-ene;propane is sourced from PubChem (CID 162031516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).