tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane

C11H23OP — CID 134984576

IUPACtert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane
SMILESCCO/C=C(/PC(C)(C)C)C(C)C
InChIInChI=1S/C11H23OP/c1-7-12-8-10(9(2)3)13-11(4,5)6/h8-9,13H,7H2,1-6H3/b10-8+
InChIKeyIXXCVMNADLQZIM-CSKARUKUSA-N
MW202.28 g/mol
LogP4.00
Rot. Bonds4

About tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane

tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane (PubChem CID 134984576) has the molecular formula C11H23OP and a molecular weight of 202.28 g/mol. Its IUPAC name is tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane
PubChem CID134984576
Molecular FormulaC11H23OP
Molecular Weight202.28 g/mol
Exact Mass202.15
IUPAC Nametert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane
SMILESCCO/C=C(/PC(C)(C)C)C(C)C
InChIInChI=1S/C11H23OP/c1-7-12-8-10(9(2)3)13-11(4,5)6/h8-9,13H,7H2,1-6H3/b10-8+
InChIKeyIXXCVMNADLQZIM-CSKARUKUSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 54.00
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

[(E)-1-ethoxy-3-methylbut-1-en-2-yl]-propan-2-ylphosphane
CID 16706875
4-(ethoxymethylidene)-2-methylheptan-3-one
CID 90706557
(2Z)-2-(ethoxymethylidene)-3-hydroxy-4,4-dimethylpentanenitrile
CID 10976140
[(E)-1-ethoxy-3,3-dimethylbut-1-en-2-yl]-ethylidenephosphane
CID 177482863
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
propan-2-yl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate
CID 88811779
3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
CID 90777101
1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
CID 87702218
ethyl 2-(ethoxymethylidene)-4-methylpentanoate
CID 154330552
tert-butyl (E)-3-ethoxy-2-isocyanoprop-2-enoate
CID 88855019
2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile
CID 3363128
butan-2-yl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
CID 151787281

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane?
The IUPAC name of tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane (CID 134984576) is tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane.
What is the SMILES notation for tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane?
The canonical SMILES for tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane is CCO/C=C(/PC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane?
The InChIKey is IXXCVMNADLQZIM-CSKARUKUSA-N. The full InChI is InChI=1S/C11H23OP/c1-7-12-8-10(9(2)3)13-11(4,5)6/h8-9,13H,7H2,1-6H3/b10-8+.
What are the key properties of tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane?
tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane has a molecular weight of 202.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-ethoxy-3-methylbut-1-en-2-yl]phosphane is sourced from PubChem (CID 134984576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).