[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane

C10H21OP — CID 16706875

IUPAC[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane
SMILESCCO/C=C(/PC(C)C)C(C)C
InChIInChI=1S/C10H21OP/c1-6-11-7-10(8(2)3)12-9(4)5/h7-9,12H,6H2,1-5H3/b10-7+
InChIKeyYTKWFFHXMUDZPS-JXMROGBWSA-N
MW188.25 g/mol
LogP3.61
Rot. Bonds5

About [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane

[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane (PubChem CID 16706875) has the molecular formula C10H21OP and a molecular weight of 188.25 g/mol. Its IUPAC name is [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane.

Molecular Properties

Compound Name[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane
PubChem CID16706875
Molecular FormulaC10H21OP
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane
SMILESCCO/C=C(/PC(C)C)C(C)C
InChIInChI=1S/C10H21OP/c1-6-11-7-10(8(2)3)12-9(4)5/h7-9,12H,6H2,1-5H3/b10-7+
InChIKeyYTKWFFHXMUDZPS-JXMROGBWSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.61
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'}

Analyze [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane
CID 134984576
4-(ethoxymethylidene)-2-methylheptan-3-one
CID 90706557
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
propan-2-yl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate
CID 88811779
(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
2-(ethoxymethylidene)-3-oxopentanoic acid
CID 87879356
ethyl 2-(ethoxymethylidene)-4-methylpentanoate
CID 154330552
(2Z)-2-(ethoxymethylidene)-3-hydroxybut-3-enenitrile
CID 87527801
[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane
CID 177482863
CID 11072062
CID 11072062

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane?
The IUPAC name of [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane (CID 16706875) is [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane.
What is the SMILES notation for [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane?
The canonical SMILES for [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane is CCO/C=C(/PC(C)C)C(C)C.
What is the InChIKey of [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane?
The InChIKey is YTKWFFHXMUDZPS-JXMROGBWSA-N. The full InChI is InChI=1S/C10H21OP/c1-6-11-7-10(8(2)3)12-9(4)5/h7-9,12H,6H2,1-5H3/b10-7+.
What are the key properties of [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane?
[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane has a molecular weight of 188.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane is sourced from PubChem (CID 16706875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).