tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane

C16H27OP — CID 142271188

IUPACtert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane
SMILESC=P(CCOC)(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27OP/c1-16(2,3)18(5,14-12-17-4)13-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyPDIFSFMLAJZNAY-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.12
Rot. Bonds6

About tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane

tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane (PubChem CID 142271188) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane
PubChem CID142271188
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Nametert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane
SMILESC=P(CCOC)(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27OP/c1-16(2,3)18(5,14-12-17-4)13-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyPDIFSFMLAJZNAY-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethylbenzene
CID 19089
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
7-methoxyheptylbenzene
CID 54276867
2-[3-[2-[bis(2-phenylethyl)phosphinothioyl]ethoxy]-2-[2-[bis(2-phenylethyl)phosphinothioyl]ethoxymethyl]-2-methylpropoxy]ethyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane
CID 132562007
[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone
CID 141016492
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 19024930
3-(4-methoxybut-2-ynoxy)propylbenzene
CID 101462105
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane?
The IUPAC name of tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane (CID 142271188) is tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane.
What is the SMILES notation for tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane?
The canonical SMILES for tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane is C=P(CCOC)(CCc1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane?
The InChIKey is PDIFSFMLAJZNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-16(2,3)18(5,14-12-17-4)13-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3.
What are the key properties of tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane?
tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane has a molecular weight of 266.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane is sourced from PubChem (CID 142271188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).