[tributyl(chloro)-λ5-phosphanyl] acetate

C14H30ClO2P — CID 175348146

IUPAC[tributyl(chloro)-λ5-phosphanyl] acetate
SMILESCCCCP(Cl)(CCCC)(CCCC)OC(C)=O
InChIInChI=1S/C14H30ClO2P/c1-5-8-11-18(15,12-9-6-2,13-10-7-3)17-14(4)16/h5-13H2,1-4H3
InChIKeyMMDYVRVJRUIHCP-UHFFFAOYSA-N
MW296.82 g/mol
LogP5.57
Rot. Bonds10

About [tributyl(chloro)-λ5-phosphanyl] acetate

[tributyl(chloro)-λ5-phosphanyl] acetate (PubChem CID 175348146) has the molecular formula C14H30ClO2P and a molecular weight of 296.82 g/mol. Its IUPAC name is [tributyl(chloro)-λ5-phosphanyl] acetate.

Molecular Properties

Compound Name[tributyl(chloro)-λ5-phosphanyl] acetate
PubChem CID175348146
Molecular FormulaC14H30ClO2P
Molecular Weight296.82 g/mol
Exact Mass296.17
IUPAC Name[tributyl(chloro)-λ5-phosphanyl] acetate
SMILESCCCCP(Cl)(CCCC)(CCCC)OC(C)=O
InChIInChI=1S/C14H30ClO2P/c1-5-8-11-18(15,12-9-6-2,13-10-7-3)17-14(4)16/h5-13H2,1-4H3
InChIKeyMMDYVRVJRUIHCP-UHFFFAOYSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.82
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(tetradodecyl-λ5-phosphanyl) acetate
CID 87189889
[methyl(trioctyl)-λ5-phosphanyl] acetate
CID 87134097
propanoic acid;tetrabutyl(chloro)-λ5-phosphane
CID 175277396
hexanoic acid;methyl acetate
CID 174922852
methyl acetate;nonanoic acid
CID 159360053
ethaneperoxoic acid;octane
CID 87879495
acetyl acetate;1-chloropentane
CID 174369574
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
heptanoic acid;λ2-stannane
CID 173301030
ethyl acetate;(hexane)
CID 173056685
ethyl acetate;decakis(hexane)
CID 173035239
ethyl acetate;pentadecakis(hexane)
CID 173347874

Frequently Asked Questions

What is the IUPAC name of [tributyl(chloro)-λ5-phosphanyl] acetate?
The IUPAC name of [tributyl(chloro)-λ5-phosphanyl] acetate (CID 175348146) is [tributyl(chloro)-λ5-phosphanyl] acetate.
What is the SMILES notation for [tributyl(chloro)-λ5-phosphanyl] acetate?
The canonical SMILES for [tributyl(chloro)-λ5-phosphanyl] acetate is CCCCP(Cl)(CCCC)(CCCC)OC(C)=O.
What is the InChIKey of [tributyl(chloro)-λ5-phosphanyl] acetate?
The InChIKey is MMDYVRVJRUIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClO2P/c1-5-8-11-18(15,12-9-6-2,13-10-7-3)17-14(4)16/h5-13H2,1-4H3.
What are the key properties of [tributyl(chloro)-λ5-phosphanyl] acetate?
[tributyl(chloro)-λ5-phosphanyl] acetate has a molecular weight of 296.82 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tributyl(chloro)-λ5-phosphanyl] acetate is sourced from PubChem (CID 175348146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).