[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane

C13H27P — CID 137420402

IUPAC[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane
SMILESCCC(C)(CP)C(C)/C=C(\C)C(C)C
InChIInChI=1S/C13H27P/c1-7-13(6,9-14)12(5)8-11(4)10(2)3/h8,10,12H,7,9,14H2,1-6H3/b11-8+
InChIKeyYEEFVCWQMPSORK-DHZHZOJOSA-N
MW214.33 g/mol
LogP4.52
Rot. Bonds5

About [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane

[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane (PubChem CID 137420402) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane.

Molecular Properties

Compound Name[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane
PubChem CID137420402
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane
SMILESCCC(C)(CP)C(C)/C=C(\C)C(C)C
InChIInChI=1S/C13H27P/c1-7-13(6,9-14)12(5)8-11(4)10(2)3/h8,10,12H,7,9,14H2,1-6H3/b11-8+
InChIKeyYEEFVCWQMPSORK-DHZHZOJOSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.52
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 [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane?
The IUPAC name of [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane (CID 137420402) is [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane.
What is the SMILES notation for [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane?
The canonical SMILES for [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane is CCC(C)(CP)C(C)/C=C(\C)C(C)C.
What is the InChIKey of [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane?
The InChIKey is YEEFVCWQMPSORK-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H27P/c1-7-13(6,9-14)12(5)8-11(4)10(2)3/h8,10,12H,7,9,14H2,1-6H3/b11-8+.
What are the key properties of [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane?
[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane has a molecular weight of 214.33 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane is sourced from PubChem (CID 137420402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).