[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium

C8H20ClNO2P+ — CID 87534494

IUPAC[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium
SMILESCCO[N+](C(C)C)(C(C)C)P(O)Cl
InChIInChI=1S/C8H20ClNO2P/c1-6-12-10(7(2)3,8(4)5)13(9)11/h7-8,11H,6H2,1-5H3/q+1
InChIKeyIFHVOVPYQIVNIF-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.03
Rot. Bonds5

About [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium

[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium (PubChem CID 87534494) has the molecular formula C8H20ClNO2P+ and a molecular weight of 228.68 g/mol. Its IUPAC name is [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium.

Molecular Properties

Compound Name[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium
PubChem CID87534494
Molecular FormulaC8H20ClNO2P+
Molecular Weight228.68 g/mol
Exact Mass228.09
IUPAC Name[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium
SMILESCCO[N+](C(C)C)(C(C)C)P(O)Cl
InChIInChI=1S/C8H20ClNO2P/c1-6-12-10(7(2)3,8(4)5)13(9)11/h7-8,11H,6H2,1-5H3/q+1
InChIKeyIFHVOVPYQIVNIF-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid
CID 19786291
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
chloroform;2-ethoxyethanol
CID 118659201
CID 88825483
CID 88825483
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
chloroform;ethanol;ethoxyethane
CID 87752781
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
chloro-[2-[chloro(propan-2-yl)phosphanyl]ethyl]-propan-2-ylphosphane
CID 12932751
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316

Frequently Asked Questions

What is the IUPAC name of [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium?
The IUPAC name of [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium (CID 87534494) is [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium.
What is the SMILES notation for [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium?
The canonical SMILES for [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium is CCO[N+](C(C)C)(C(C)C)P(O)Cl.
What is the InChIKey of [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium?
The InChIKey is IFHVOVPYQIVNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20ClNO2P/c1-6-12-10(7(2)3,8(4)5)13(9)11/h7-8,11H,6H2,1-5H3/q+1.
What are the key properties of [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium?
[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium has a molecular weight of 228.68 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium is sourced from PubChem (CID 87534494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).