butoxy-ethoxy-phenylphosphane;ethane

C14H25O2P — CID 142525942

IUPACbutoxy-ethoxy-phenylphosphane;ethane
SMILESCC.CCCCOP(OCC)c1ccccc1
InChIInChI=1S/C12H19O2P.C2H6/c1-3-5-11-14-15(13-4-2)12-9-7-6-8-10-12;1-2/h6-10H,3-5,11H2,1-2H3;1-2H3
InChIKeyJMWWXFLQFKDDMT-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.50
Rot. Bonds7

About butoxy-ethoxy-phenylphosphane;ethane

butoxy-ethoxy-phenylphosphane;ethane (PubChem CID 142525942) has the molecular formula C14H25O2P and a molecular weight of 256.33 g/mol. Its IUPAC name is butoxy-ethoxy-phenylphosphane;ethane.

Molecular Properties

Compound Namebutoxy-ethoxy-phenylphosphane;ethane
PubChem CID142525942
Molecular FormulaC14H25O2P
Molecular Weight256.33 g/mol
Exact Mass256.16
IUPAC Namebutoxy-ethoxy-phenylphosphane;ethane
SMILESCC.CCCCOP(OCC)c1ccccc1
InChIInChI=1S/C12H19O2P.C2H6/c1-3-5-11-14-15(13-4-2)12-9-7-6-8-10-12;1-2/h6-10H,3-5,11H2,1-2H3;1-2H3
InChIKeyJMWWXFLQFKDDMT-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-hexoxy-phenylphosphane
CID 154163043
bis(10-diphenylphosphanyldecoxy)-phenylphosphane
CID 12054176
heptoxy(phenyl)phosphinous acid
CID 12959801
ethane;ethoxy(phenyl)phosphinous acid
CID 145394359
1,1'-biphenyl;ethyl hexyl hydrogen phosphite
CID 67071902
sodium ethoxy(phenyl)phosphinite
CID 23703386
(2-bromophenyl) dibutyl phosphite
CID 134288649
phenyl-bis(2-prop-2-enoxyethoxy)phosphane
CID 69339497
butoxy-bis(2-methylphenyl)phosphane
CID 175546633
butoxymethylbenzene;ethane
CID 145341806
didodecoxy(phenylsulfanyl)phosphane
CID 169021421
butyl 2-diphenylphosphanylbenzoate
CID 87329990

Frequently Asked Questions

What is the IUPAC name of butoxy-ethoxy-phenylphosphane;ethane?
The IUPAC name of butoxy-ethoxy-phenylphosphane;ethane (CID 142525942) is butoxy-ethoxy-phenylphosphane;ethane.
What is the SMILES notation for butoxy-ethoxy-phenylphosphane;ethane?
The canonical SMILES for butoxy-ethoxy-phenylphosphane;ethane is CC.CCCCOP(OCC)c1ccccc1.
What is the InChIKey of butoxy-ethoxy-phenylphosphane;ethane?
The InChIKey is JMWWXFLQFKDDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2P.C2H6/c1-3-5-11-14-15(13-4-2)12-9-7-6-8-10-12;1-2/h6-10H,3-5,11H2,1-2H3;1-2H3.
What are the key properties of butoxy-ethoxy-phenylphosphane;ethane?
butoxy-ethoxy-phenylphosphane;ethane has a molecular weight of 256.33 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-ethoxy-phenylphosphane;ethane is sourced from PubChem (CID 142525942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).