dodecoxy(propoxy)phosphane

C15H33O2P — CID 175345564

IUPACdodecoxy(propoxy)phosphane
SMILESCCCCCCCCCCCCOPOCCC
InChIInChI=1S/C15H33O2P/c1-3-5-6-7-8-9-10-11-12-13-15-17-18-16-14-4-2/h18H,3-15H2,1-2H3
InChIKeyINKOWNCVQUYLDP-UHFFFAOYSA-N
MW276.40 g/mol
LogP5.86
Rot. Bonds15

About dodecoxy(propoxy)phosphane

dodecoxy(propoxy)phosphane (PubChem CID 175345564) has the molecular formula C15H33O2P and a molecular weight of 276.40 g/mol. Its IUPAC name is dodecoxy(propoxy)phosphane.

Molecular Properties

Compound Namedodecoxy(propoxy)phosphane
PubChem CID175345564
Molecular FormulaC15H33O2P
Molecular Weight276.40 g/mol
Exact Mass276.22
IUPAC Namedodecoxy(propoxy)phosphane
SMILESCCCCCCCCCCCCOPOCCC
InChIInChI=1S/C15H33O2P/c1-3-5-6-7-8-9-10-11-12-13-15-17-18-16-14-4-2/h18H,3-15H2,1-2H3
InChIKeyINKOWNCVQUYLDP-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.86
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

bis[(Z)-octadec-9-enoxy]phosphane
CID 88561354
decoxy(propyl)phosphane
CID 87580743
1-octoxyoctane;titanium
CID 158207327
octadecane;titanium
CID 161312984
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of dodecoxy(propoxy)phosphane?
The IUPAC name of dodecoxy(propoxy)phosphane (CID 175345564) is dodecoxy(propoxy)phosphane.
What is the SMILES notation for dodecoxy(propoxy)phosphane?
The canonical SMILES for dodecoxy(propoxy)phosphane is CCCCCCCCCCCCOPOCCC.
What is the InChIKey of dodecoxy(propoxy)phosphane?
The InChIKey is INKOWNCVQUYLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O2P/c1-3-5-6-7-8-9-10-11-12-13-15-17-18-16-14-4-2/h18H,3-15H2,1-2H3.
What are the key properties of dodecoxy(propoxy)phosphane?
dodecoxy(propoxy)phosphane has a molecular weight of 276.40 g/mol, XLogP of 5.86, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy(propoxy)phosphane is sourced from PubChem (CID 175345564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).