1-[chloro(ethyl)phosphoryl]oxydecane

C12H26ClO2P — CID 98517423

IUPAC1-[chloro(ethyl)phosphoryl]oxydecane
SMILESCCCCCCCCCCO[P@](=O)(Cl)CC
InChIInChI=1S/C12H26ClO2P/c1-3-5-6-7-8-9-10-11-12-15-16(13,14)4-2/h3-12H2,1-2H3/t16-/m0/s1
InChIKeyBVXJAHQLXZHLGM-INIZCTEOSA-N
MW268.76 g/mol
LogP5.60
Rot. Bonds11

About 1-[chloro(ethyl)phosphoryl]oxydecane

1-[chloro(ethyl)phosphoryl]oxydecane (PubChem CID 98517423) has the molecular formula C12H26ClO2P and a molecular weight of 268.76 g/mol. Its IUPAC name is 1-[chloro(ethyl)phosphoryl]oxydecane.

Molecular Properties

Compound Name1-[chloro(ethyl)phosphoryl]oxydecane
PubChem CID98517423
Molecular FormulaC12H26ClO2P
Molecular Weight268.76 g/mol
Exact Mass268.14
IUPAC Name1-[chloro(ethyl)phosphoryl]oxydecane
SMILESCCCCCCCCCCO[P@](=O)(Cl)CC
InChIInChI=1S/C12H26ClO2P/c1-3-5-6-7-8-9-10-11-12-15-16(13,14)4-2/h3-12H2,1-2H3/t16-/m0/s1
InChIKeyBVXJAHQLXZHLGM-INIZCTEOSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.76
LogP ≤ 55.60
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

1-dichlorophosphoryloxyoctadecane
CID 88757359
1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235
1-[chloro(propoxy)phosphoryl]hexane
CID 20555775
1-[chloro(propoxy)phosphoryl]dodecane
CID 54374969
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
beryllium bis(dihexadecyl phosphate)
CID 102241208
potassium tris-decyl phosphate
CID 21118666
dibutyl decyl phosphate
CID 19784867
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(ethyl)phosphoryl]oxydecane?
The IUPAC name of 1-[chloro(ethyl)phosphoryl]oxydecane (CID 98517423) is 1-[chloro(ethyl)phosphoryl]oxydecane.
What is the SMILES notation for 1-[chloro(ethyl)phosphoryl]oxydecane?
The canonical SMILES for 1-[chloro(ethyl)phosphoryl]oxydecane is CCCCCCCCCCO[P@](=O)(Cl)CC.
What is the InChIKey of 1-[chloro(ethyl)phosphoryl]oxydecane?
The InChIKey is BVXJAHQLXZHLGM-INIZCTEOSA-N. The full InChI is InChI=1S/C12H26ClO2P/c1-3-5-6-7-8-9-10-11-12-15-16(13,14)4-2/h3-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[chloro(ethyl)phosphoryl]oxydecane?
1-[chloro(ethyl)phosphoryl]oxydecane has a molecular weight of 268.76 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethyl)phosphoryl]oxydecane is sourced from PubChem (CID 98517423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).