1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene

C12H15OP — CID 178181552

IUPAC1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene
SMILESO=P(C1=CCC1)(C1=CCC1)C1=CCC1
InChIInChI=1S/C12H15OP/c13-14(10-4-1-5-10,11-6-2-7-11)12-8-3-9-12/h4,6,8H,1-3,5,7,9H2
InChIKeyCQBSKGAUTZWRPZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP4.38
Rot. Bonds3

About 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene

1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene (PubChem CID 178181552) has the molecular formula C12H15OP and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene.

Molecular Properties

Compound Name1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene
PubChem CID178181552
Molecular FormulaC12H15OP
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene
SMILESO=P(C1=CCC1)(C1=CCC1)C1=CCC1
InChIInChI=1S/C12H15OP/c13-14(10-4-1-5-10,11-6-2-7-11)12-8-3-9-12/h4,6,8H,1-3,5,7,9H2
InChIKeyCQBSKGAUTZWRPZ-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobuten-1-yl dihydrogen phosphate
CID 150920090
1-(trichloromethyl)cyclobutene
CID 171545567
(5-oxocyclopenten-1-yl) dihydrogen phosphate
CID 130029907
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
CID 123358674
cyclobutene-1-carbothioic S-acid
CID 87248869
cyclohexen-1-yl(ethyl)phosphinic acid
CID 23418944
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
CID 175084133
cyclobutene-1-sulfinate
CID 57440961
2-(ditert-butylamino)cyclopent-2-en-1-one
CID 59979795

Frequently Asked Questions

What is the IUPAC name of 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene?
The IUPAC name of 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene (CID 178181552) is 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene.
What is the SMILES notation for 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene?
The canonical SMILES for 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene is O=P(C1=CCC1)(C1=CCC1)C1=CCC1.
What is the InChIKey of 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene?
The InChIKey is CQBSKGAUTZWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15OP/c13-14(10-4-1-5-10,11-6-2-7-11)12-8-3-9-12/h4,6,8H,1-3,5,7,9H2.
What are the key properties of 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene?
1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene has a molecular weight of 206.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene is sourced from PubChem (CID 178181552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).