[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane

C10H19OP — CID 177482863

IUPAC[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane
SMILESC/C=P/C(=C/OCC)C(C)(C)C
InChIInChI=1S/C10H19OP/c1-6-11-8-9(12-7-2)10(3,4)5/h7-8H,6H2,1-5H3/b9-8+
InChIKeyLKTUBPMOIPJLBG-CMDGGOBGSA-N
MW186.23 g/mol
LogP3.68
Rot. Bonds3

About [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane

[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane (PubChem CID 177482863) has the molecular formula C10H19OP and a molecular weight of 186.23 g/mol. Its IUPAC name is [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane.

Molecular Properties

Compound Name[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane
PubChem CID177482863
Molecular FormulaC10H19OP
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane
SMILESC/C=P/C(=C/OCC)C(C)(C)C
InChIInChI=1S/C10H19OP/c1-6-11-8-9(12-7-2)10(3,4)5/h7-8H,6H2,1-5H3/b9-8+
InChIKeyLKTUBPMOIPJLBG-CMDGGOBGSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane
CID 134984576
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
(E)-3-ethyl-4,4-dimethylpent-2-ene
CID 5369078
(2Z)-2-(ethoxymethylidene)-3-hydroxy-4,4-dimethylpentanenitrile
CID 10976140
3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
CID 90777101
1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
CID 87702218
[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane
CID 16706875
2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile
CID 3363128
tert-butyl (E)-3-ethoxy-2-isocyanoprop-2-enoate
CID 88855019
(E)-1-ethoxy-3,3-dimethylbut-1-ene
CID 5462937
2-(ethoxymethylidene)butanenitrile
CID 54138132
(E)-3-ethoxy-N,2-dimethylprop-2-en-1-imine
CID 163855599

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane?
The IUPAC name of [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane (CID 177482863) is [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane.
What is the SMILES notation for [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane?
The canonical SMILES for [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane is C/C=P/C(=C/OCC)C(C)(C)C.
What is the InChIKey of [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane?
The InChIKey is LKTUBPMOIPJLBG-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H19OP/c1-6-11-8-9(12-7-2)10(3,4)5/h7-8H,6H2,1-5H3/b9-8+.
What are the key properties of [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane?
[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane has a molecular weight of 186.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane is sourced from PubChem (CID 177482863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).