molecular hydrogen;phosphorosooxycyclohexane

C6H13O2P — CID 159066743

IUPACmolecular hydrogen;phosphorosooxycyclohexane
SMILESO=POC1CCCCC1.[H][H]
InChIInChI=1S/C6H11O2P.H2/c7-9-8-6-4-2-1-3-5-6;/h6H,1-5H2;1H
InChIKeyJZDMFSGGCYIWEL-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.79
Rot. Bonds2

About molecular hydrogen;phosphorosooxycyclohexane

molecular hydrogen;phosphorosooxycyclohexane (PubChem CID 159066743) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is molecular hydrogen;phosphorosooxycyclohexane.

Molecular Properties

Compound Namemolecular hydrogen;phosphorosooxycyclohexane
PubChem CID159066743
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Namemolecular hydrogen;phosphorosooxycyclohexane
SMILESO=POC1CCCCC1.[H][H]
InChIInChI=1S/C6H11O2P.H2/c7-9-8-6-4-2-1-3-5-6;/h6H,1-5H2;1H
InChIKeyJZDMFSGGCYIWEL-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.79
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

phosphorosooxycyclohexane
CID 18717017
phosphorosooxycyclobutane
CID 159476580
di(cyclooctyloxy)-oxophosphanium
CID 164745910
cyclooctyloxy(tricyclopentyl)silane
CID 142301939
cyclohexyl dibromoarsanylformate
CID 87971743
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
10,13-diethoxy-3-phosphorosooxy-oxacyclohexadecan-2-one
CID 139610366
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
dicyclohexyloxy(oxo)azanium
CID 57042378
dicyclohexyl sulfite
CID 557841

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;phosphorosooxycyclohexane?
The IUPAC name of molecular hydrogen;phosphorosooxycyclohexane (CID 159066743) is molecular hydrogen;phosphorosooxycyclohexane.
What is the SMILES notation for molecular hydrogen;phosphorosooxycyclohexane?
The canonical SMILES for molecular hydrogen;phosphorosooxycyclohexane is O=POC1CCCCC1.[H][H].
What is the InChIKey of molecular hydrogen;phosphorosooxycyclohexane?
The InChIKey is JZDMFSGGCYIWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P.H2/c7-9-8-6-4-2-1-3-5-6;/h6H,1-5H2;1H.
What are the key properties of molecular hydrogen;phosphorosooxycyclohexane?
molecular hydrogen;phosphorosooxycyclohexane has a molecular weight of 148.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;phosphorosooxycyclohexane is sourced from PubChem (CID 159066743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).