chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane

C7H16ClOPS — CID 57021571

IUPACchloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane
SMILESCCCC(C)OP(=S)(Cl)CC
InChIInChI=1S/C7H16ClOPS/c1-4-6-7(3)9-10(8,11)5-2/h7H,4-6H2,1-3H3
InChIKeyVPOJORVJIOWSFD-UHFFFAOYSA-N
MW214.70 g/mol
LogP3.76
Rot. Bonds5

About chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane

chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane (PubChem CID 57021571) has the molecular formula C7H16ClOPS and a molecular weight of 214.70 g/mol. Its IUPAC name is chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane
PubChem CID57021571
Molecular FormulaC7H16ClOPS
Molecular Weight214.70 g/mol
Exact Mass214.03
IUPAC Namechloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane
SMILESCCCC(C)OP(=S)(Cl)CC
InChIInChI=1S/C7H16ClOPS/c1-4-6-7(3)9-10(8,11)5-2/h7H,4-6H2,1-3H3
InChIKeyVPOJORVJIOWSFD-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.76
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

ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 23331140
(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 14821640
methyl pentan-2-yl hydrogen phosphate
CID 138486874
2-[amino(propan-2-yloxy)phosphoryl]oxypentane
CID 174170604
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944
tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132
2-[di(pentan-2-yloxy)methoxy]pentane
CID 19428773
(3R)-3,4-dimethylheptane
CID 59819300
pentan-2-ylsulfanium chloride
CID 172855201
4-chloro-3-methylheptane
CID 54215050
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887

Frequently Asked Questions

What is the IUPAC name of chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane (CID 57021571) is chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane is CCCC(C)OP(=S)(Cl)CC.
What is the InChIKey of chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane?
The InChIKey is VPOJORVJIOWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClOPS/c1-4-6-7(3)9-10(8,11)5-2/h7H,4-6H2,1-3H3.
What are the key properties of chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane?
chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane has a molecular weight of 214.70 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57021571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).