[(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane

C11H21P — CID 170072320

IUPAC[(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane
SMILESC/C=C(\C)P=C(C(C)C)C(C)C
InChIInChI=1S/C11H21P/c1-7-10(6)12-11(8(2)3)9(4)5/h7-9H,1-6H3/b10-7+
InChIKeyXQAGFUMOKVMLTK-JXMROGBWSA-N
MW184.26 g/mol
LogP4.34
Rot. Bonds3

About [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane

[(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane (PubChem CID 170072320) has the molecular formula C11H21P and a molecular weight of 184.26 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane
PubChem CID170072320
Molecular FormulaC11H21P
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name[(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane
SMILESC/C=C(\C)P=C(C(C)C)C(C)C
InChIInChI=1S/C11H21P/c1-7-10(6)12-11(8(2)3)9(4)5/h7-9H,1-6H3/b10-7+
InChIKeyXQAGFUMOKVMLTK-JXMROGBWSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 67857329
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
CID 59043139
CID 59043139
(E)-2-propan-2-ylbut-2-enenitrile
CID 145155046
4-methylpent-2-en-3-amine
CID 72590374
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(Z)-4-[(Z)-4-methylpent-2-en-3-yl]iminopent-2-en-2-amine
CID 130331601
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
CID 20665495
CID 20665495

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane?
The IUPAC name of [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane (CID 170072320) is [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane.
What is the SMILES notation for [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane?
The canonical SMILES for [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane is C/C=C(\C)P=C(C(C)C)C(C)C.
What is the InChIKey of [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane?
The InChIKey is XQAGFUMOKVMLTK-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21P/c1-7-10(6)12-11(8(2)3)9(4)5/h7-9H,1-6H3/b10-7+.
What are the key properties of [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane?
[(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane has a molecular weight of 184.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]-(2,4-dimethylpentan-3-ylidene)phosphane is sourced from PubChem (CID 170072320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).