prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane

C10H17P — CID 134197621

IUPACprop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
SMILESC#CCP/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H17P/c1-6-7-11-8-9(2)10(3,4)5/h1,8,11H,7H2,2-5H3/b9-8+
InChIKeyZFXZAMIIRLWEGM-CMDGGOBGSA-N
MW168.22 g/mol
LogP3.25
Rot. Bonds2

About prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane

prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane (PubChem CID 134197621) has the molecular formula C10H17P and a molecular weight of 168.22 g/mol. Its IUPAC name is prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane.

Molecular Properties

Compound Nameprop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
PubChem CID134197621
Molecular FormulaC10H17P
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Nameprop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
SMILESC#CCP/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H17P/c1-6-7-11-8-9(2)10(3,4)5/h1,8,11H,7H2,2-5H3/b9-8+
InChIKeyZFXZAMIIRLWEGM-CMDGGOBGSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The IUPAC name of prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane (CID 134197621) is prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane.
What is the SMILES notation for prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The canonical SMILES for prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane is C#CCP/C=C(\C)C(C)(C)C.
What is the InChIKey of prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The InChIKey is ZFXZAMIIRLWEGM-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17P/c1-6-7-11-8-9(2)10(3,4)5/h1,8,11H,7H2,2-5H3/b9-8+.
What are the key properties of prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane has a molecular weight of 168.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane is sourced from PubChem (CID 134197621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).