di(pentan-2-yl)-phenoxyphosphane

C16H27OP — CID 71101650

IUPACdi(pentan-2-yl)-phenoxyphosphane
SMILESCCCC(C)P(Oc1ccccc1)C(C)CCC
InChIInChI=1S/C16H27OP/c1-5-10-14(3)18(15(4)11-6-2)17-16-12-8-7-9-13-16/h7-9,12-15H,5-6,10-11H2,1-4H3
InChIKeyVTNFGRDWECCYQC-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.84
Rot. Bonds8

About di(pentan-2-yl)-phenoxyphosphane

di(pentan-2-yl)-phenoxyphosphane (PubChem CID 71101650) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is di(pentan-2-yl)-phenoxyphosphane.

Molecular Properties

Compound Namedi(pentan-2-yl)-phenoxyphosphane
PubChem CID71101650
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Namedi(pentan-2-yl)-phenoxyphosphane
SMILESCCCC(C)P(Oc1ccccc1)C(C)CCC
InChIInChI=1S/C16H27OP/c1-5-10-14(3)18(15(4)11-6-2)17-16-12-8-7-9-13-16/h7-9,12-15H,5-6,10-11H2,1-4H3
InChIKeyVTNFGRDWECCYQC-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.84
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

3-methylhexan-2-yloxybenzene
CID 150585965
3-methylbutoxy(phenoxy)phosphane
CID 175046720
dibutyl(phenoxy)phosphane
CID 12525167
2-phenoxycarbonylpentanoic acid
CID 54073131
anisole;ethane;methane;2-methylpropane
CID 159356491
diphenyl hydrogen phosphite;ethanol
CID 159674253
butyl-chloro-phenoxyphosphane
CID 88778201
azanylidyne-phenoxy-propoxy-λ5-phosphane
CID 19862340
[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane
CID 22925447
pentan-2-ylbenzene
CID 17627
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902

Frequently Asked Questions

What is the IUPAC name of di(pentan-2-yl)-phenoxyphosphane?
The IUPAC name of di(pentan-2-yl)-phenoxyphosphane (CID 71101650) is di(pentan-2-yl)-phenoxyphosphane.
What is the SMILES notation for di(pentan-2-yl)-phenoxyphosphane?
The canonical SMILES for di(pentan-2-yl)-phenoxyphosphane is CCCC(C)P(Oc1ccccc1)C(C)CCC.
What is the InChIKey of di(pentan-2-yl)-phenoxyphosphane?
The InChIKey is VTNFGRDWECCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-5-10-14(3)18(15(4)11-6-2)17-16-12-8-7-9-13-16/h7-9,12-15H,5-6,10-11H2,1-4H3.
What are the key properties of di(pentan-2-yl)-phenoxyphosphane?
di(pentan-2-yl)-phenoxyphosphane has a molecular weight of 266.36 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(pentan-2-yl)-phenoxyphosphane is sourced from PubChem (CID 71101650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).