2,3-dimethylbut-2-ene;phosphane

C6H18P2 — CID 159112773

IUPAC2,3-dimethylbut-2-ene;phosphane
SMILESCC(C)=C(C)C.P.P
InChIInChI=1S/C6H12.2H3P/c1-5(2)6(3)4;;/h1-4H3;2*1H3
InChIKeyKERZGRKZFHUZJP-UHFFFAOYSA-N
MW152.16 g/mol
LogP2.48
Rot. Bonds

About 2,3-dimethylbut-2-ene;phosphane

2,3-dimethylbut-2-ene;phosphane (PubChem CID 159112773) has the molecular formula C6H18P2 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2,3-dimethylbut-2-ene;phosphane.

Molecular Properties

Compound Name2,3-dimethylbut-2-ene;phosphane
PubChem CID159112773
Molecular FormulaC6H18P2
Molecular Weight152.16 g/mol
Exact Mass152.09
IUPAC Name2,3-dimethylbut-2-ene;phosphane
SMILESCC(C)=C(C)C.P.P
InChIInChI=1S/C6H12.2H3P/c1-5(2)6(3)4;;/h1-4H3;2*1H3
InChIKeyKERZGRKZFHUZJP-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-ene;phosphane?
The IUPAC name of 2,3-dimethylbut-2-ene;phosphane (CID 159112773) is 2,3-dimethylbut-2-ene;phosphane.
What is the SMILES notation for 2,3-dimethylbut-2-ene;phosphane?
The canonical SMILES for 2,3-dimethylbut-2-ene;phosphane is CC(C)=C(C)C.P.P.
What is the InChIKey of 2,3-dimethylbut-2-ene;phosphane?
The InChIKey is KERZGRKZFHUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2H3P/c1-5(2)6(3)4;;/h1-4H3;2*1H3.
What are the key properties of 2,3-dimethylbut-2-ene;phosphane?
2,3-dimethylbut-2-ene;phosphane has a molecular weight of 152.16 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-ene;phosphane is sourced from PubChem (CID 159112773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).