tris(prop-2-enyl)phosphane;hydrate

C9H17OP — CID 173137967

IUPACtris(prop-2-enyl)phosphane;hydrate
SMILESC=CCP(CC=C)CC=C.O
InChIInChI=1S/C9H15P.H2O/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;1H2
InChIKeyVLUHOGIQMYEMNR-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.20
Rot. Bonds6

About tris(prop-2-enyl)phosphane;hydrate

tris(prop-2-enyl)phosphane;hydrate (PubChem CID 173137967) has the molecular formula C9H17OP and a molecular weight of 172.21 g/mol. Its IUPAC name is tris(prop-2-enyl)phosphane;hydrate.

Molecular Properties

Compound Nametris(prop-2-enyl)phosphane;hydrate
PubChem CID173137967
Molecular FormulaC9H17OP
Molecular Weight172.21 g/mol
Exact Mass172.10
IUPAC Nametris(prop-2-enyl)phosphane;hydrate
SMILESC=CCP(CC=C)CC=C.O
InChIInChI=1S/C9H15P.H2O/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;1H2
InChIKeyVLUHOGIQMYEMNR-UHFFFAOYSA-N
XLogP2.20
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

palladium;tetrakis(tris(prop-2-enyl)phosphane)
CID 173355733
indigane;tris(prop-2-enyl)phosphane
CID 173012611
CID 87126920
CID 87126920
triphenylphosphane;tris(prop-2-enyl)phosphane
CID 175264539
CID 12844421
CID 12844421
ethynyl-bis(prop-2-enyl)phosphane
CID 87877973
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
tris(hex-5-enyl)phosphane
CID 71420919
bis(1-adamantyl)-prop-2-enylphosphane
CID 11633204
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)phosphane;hydrate?
The IUPAC name of tris(prop-2-enyl)phosphane;hydrate (CID 173137967) is tris(prop-2-enyl)phosphane;hydrate.
What is the SMILES notation for tris(prop-2-enyl)phosphane;hydrate?
The canonical SMILES for tris(prop-2-enyl)phosphane;hydrate is C=CCP(CC=C)CC=C.O.
What is the InChIKey of tris(prop-2-enyl)phosphane;hydrate?
The InChIKey is VLUHOGIQMYEMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P.H2O/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;1H2.
What are the key properties of tris(prop-2-enyl)phosphane;hydrate?
tris(prop-2-enyl)phosphane;hydrate has a molecular weight of 172.21 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)phosphane;hydrate is sourced from PubChem (CID 173137967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).