[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane

C11H19P — CID 167202874

IUPAC[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane
SMILESC=CC(=C)/C(=C\PC)C(C)(C)C
InChIInChI=1S/C11H19P/c1-7-9(2)10(8-12-6)11(3,4)5/h7-8,12H,1-2H2,3-6H3/b10-8+
InChIKeyRIZIWMNVWIJJPG-CSKARUKUSA-N
MW182.25 g/mol
LogP3.97
Rot. Bonds3

About [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane

[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane (PubChem CID 167202874) has the molecular formula C11H19P and a molecular weight of 182.25 g/mol. Its IUPAC name is [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane.

Molecular Properties

Compound Name[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane
PubChem CID167202874
Molecular FormulaC11H19P
Molecular Weight182.25 g/mol
Exact Mass182.12
IUPAC Name[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane
SMILESC=CC(=C)/C(=C\PC)C(C)(C)C
InChIInChI=1S/C11H19P/c1-7-9(2)10(8-12-6)11(3,4)5/h7-8,12H,1-2H2,3-6H3/b10-8+
InChIKeyRIZIWMNVWIJJPG-CSKARUKUSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
prop-1-en-2-yl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
CID 126513975
(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
CID 5463033
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
4,4-difluoro-3-methylidenepent-1-ene
CID 134189275
O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine
CID 129140973
(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
CID 126513851
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
CID 143947867
2-methylidene-N-(3-methylpentan-3-yl)but-3-enamide
CID 134386849
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane?
The IUPAC name of [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane (CID 167202874) is [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane.
What is the SMILES notation for [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane?
The canonical SMILES for [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane is C=CC(=C)/C(=C\PC)C(C)(C)C.
What is the InChIKey of [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane?
The InChIKey is RIZIWMNVWIJJPG-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19P/c1-7-9(2)10(8-12-6)11(3,4)5/h7-8,12H,1-2H2,3-6H3/b10-8+.
What are the key properties of [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane?
[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane has a molecular weight of 182.25 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane is sourced from PubChem (CID 167202874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).