tris(ethynylcyclohexane);phosphorous acid

C24H39O3P — CID 175386869

IUPACtris(ethynylcyclohexane);phosphorous acid
SMILESC#CC1CCCCC1.C#CC1CCCCC1.C#CC1CCCCC1.OP(O)O
InChIInChI=1S/3C8H12.H3O3P/c3*1-2-8-6-4-3-5-7-8;1-4(2)3/h3*1,8H,3-7H2;1-3H
InChIKeyRZHIYPQINVZDFD-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.79
Rot. Bonds

About tris(ethynylcyclohexane);phosphorous acid

tris(ethynylcyclohexane);phosphorous acid (PubChem CID 175386869) has the molecular formula C24H39O3P and a molecular weight of 406.55 g/mol. Its IUPAC name is tris(ethynylcyclohexane);phosphorous acid.

Molecular Properties

Compound Nametris(ethynylcyclohexane);phosphorous acid
PubChem CID175386869
Molecular FormulaC24H39O3P
Molecular Weight406.55 g/mol
Exact Mass406.26
IUPAC Nametris(ethynylcyclohexane);phosphorous acid
SMILESC#CC1CCCCC1.C#CC1CCCCC1.C#CC1CCCCC1.OP(O)O
InChIInChI=1S/3C8H12.H3O3P/c3*1-2-8-6-4-3-5-7-8;1-4(2)3/h3*1,8H,3-7H2;1-3H
InChIKeyRZHIYPQINVZDFD-UHFFFAOYSA-N
XLogP5.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium;ethynylcyclobutane;hydride;hydrobromide
CID 173220731
trans-(1R,3R)-1,3-diethynylcyclohexane
CID 45079190
ethane-1,2-diol;ethynylcyclopropane
CID 90281730
cis-(1R,3S)-3-ethynylcyclohexan-1-ol
CID 124603854
3-ethynylcyclooctan-1-one
CID 10986416
1-cyclopentyl-4-ethynylpiperidine
CID 53364687
3-ethynyl-1-methylpiperidine
CID 13266410
4-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phosphinane
CID 89441929
3-ethynylcyclohexane-1-carboxylic acid
CID 139914297
1-bromo-4-ethynylcyclohexane
CID 147846711
3-ethynylcyclohexan-1-amine
CID 134515034
4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
CID 165436307

Frequently Asked Questions

What is the IUPAC name of tris(ethynylcyclohexane);phosphorous acid?
The IUPAC name of tris(ethynylcyclohexane);phosphorous acid (CID 175386869) is tris(ethynylcyclohexane);phosphorous acid.
What is the SMILES notation for tris(ethynylcyclohexane);phosphorous acid?
The canonical SMILES for tris(ethynylcyclohexane);phosphorous acid is C#CC1CCCCC1.C#CC1CCCCC1.C#CC1CCCCC1.OP(O)O.
What is the InChIKey of tris(ethynylcyclohexane);phosphorous acid?
The InChIKey is RZHIYPQINVZDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H12.H3O3P/c3*1-2-8-6-4-3-5-7-8;1-4(2)3/h3*1,8H,3-7H2;1-3H.
What are the key properties of tris(ethynylcyclohexane);phosphorous acid?
tris(ethynylcyclohexane);phosphorous acid has a molecular weight of 406.55 g/mol, XLogP of 5.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethynylcyclohexane);phosphorous acid is sourced from PubChem (CID 175386869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).