1-[chloro(ethoxy)phosphoryl]pentane

C7H16ClO2P — CID 13101834

IUPAC1-[chloro(ethoxy)phosphoryl]pentane
SMILESCCCCCP(=O)(Cl)OCC
InChIInChI=1S/C7H16ClO2P/c1-3-5-6-7-11(8,9)10-4-2/h3-7H2,1-2H3
InChIKeyONLRNADVZKBCQW-UHFFFAOYSA-N
MW198.63 g/mol
LogP3.64
Rot. Bonds6

About 1-[chloro(ethoxy)phosphoryl]pentane

1-[chloro(ethoxy)phosphoryl]pentane (PubChem CID 13101834) has the molecular formula C7H16ClO2P and a molecular weight of 198.63 g/mol. Its IUPAC name is 1-[chloro(ethoxy)phosphoryl]pentane.

Molecular Properties

Compound Name1-[chloro(ethoxy)phosphoryl]pentane
PubChem CID13101834
Molecular FormulaC7H16ClO2P
Molecular Weight198.63 g/mol
Exact Mass198.06
IUPAC Name1-[chloro(ethoxy)phosphoryl]pentane
SMILESCCCCCP(=O)(Cl)OCC
InChIInChI=1S/C7H16ClO2P/c1-3-5-6-7-11(8,9)10-4-2/h3-7H2,1-2H3
InChIKeyONLRNADVZKBCQW-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 53.64
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-[chloro(ethoxy)phosphoryl]docosane
CID 71395533
1-[chloro(propoxy)phosphoryl]hexane
CID 20555775
1-[chloro(propoxy)phosphoryl]dodecane
CID 54374969
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
sodium ethoxy(tridecyl)phosphinate
CID 90661205
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
1-[chloro(methyl)phosphoryl]tetradecane
CID 54104937
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
1-[chloro(ethyl)phosphoryl]oxydecane
CID 98517423

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(ethoxy)phosphoryl]pentane?
The IUPAC name of 1-[chloro(ethoxy)phosphoryl]pentane (CID 13101834) is 1-[chloro(ethoxy)phosphoryl]pentane.
What is the SMILES notation for 1-[chloro(ethoxy)phosphoryl]pentane?
The canonical SMILES for 1-[chloro(ethoxy)phosphoryl]pentane is CCCCCP(=O)(Cl)OCC.
What is the InChIKey of 1-[chloro(ethoxy)phosphoryl]pentane?
The InChIKey is ONLRNADVZKBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClO2P/c1-3-5-6-7-11(8,9)10-4-2/h3-7H2,1-2H3.
What are the key properties of 1-[chloro(ethoxy)phosphoryl]pentane?
1-[chloro(ethoxy)phosphoryl]pentane has a molecular weight of 198.63 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethoxy)phosphoryl]pentane is sourced from PubChem (CID 13101834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).