chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane

C8H20ClO2P — CID 150451062

IUPACchloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane
SMILESCCOP(O)(Cl)(C(C)C)C(C)C
InChIInChI=1S/C8H20ClO2P/c1-6-11-12(9,10,7(2)3)8(4)5/h7-8,10H,6H2,1-5H3
InChIKeyJWNDTLDJKMMQJP-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.37
Rot. Bonds4

About chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane

chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane (PubChem CID 150451062) has the molecular formula C8H20ClO2P and a molecular weight of 214.67 g/mol. Its IUPAC name is chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane
PubChem CID150451062
Molecular FormulaC8H20ClO2P
Molecular Weight214.67 g/mol
Exact Mass214.09
IUPAC Namechloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane
SMILESCCOP(O)(Cl)(C(C)C)C(C)C
InChIInChI=1S/C8H20ClO2P/c1-6-11-12(9,10,7(2)3)8(4)5/h7-8,10H,6H2,1-5H3
InChIKeyJWNDTLDJKMMQJP-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro-dihydroxy-propan-2-yloxy-λ5-phosphane
CID 87930313
(2S,3R)-3-methylpentan-2-ol
CID 6993006
O-ethylhydroxylamine;propan-2-ol
CID 174873596
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane
CID 87879267
CID 159597367
CID 159597367
chloroform;ethanol;ethoxyethane
CID 87752781
1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol
CID 88993519
ethyl 5-chloro-2-methyl-5-oxopentanoate
CID 13065957
dichloromethane;methanol;propan-2-ol;hydrate
CID 18377868
1,1-diethoxyethane
CID 7765
ethane;methoxyethane;2-methylpropane
CID 144654475

Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane?
The IUPAC name of chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane (CID 150451062) is chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane.
What is the SMILES notation for chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane?
The canonical SMILES for chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane is CCOP(O)(Cl)(C(C)C)C(C)C.
What is the InChIKey of chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane?
The InChIKey is JWNDTLDJKMMQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20ClO2P/c1-6-11-12(9,10,7(2)3)8(4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane?
chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane has a molecular weight of 214.67 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-hydroxy-di(propan-2-yl)-λ5-phosphane is sourced from PubChem (CID 150451062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).