cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane

C16H23O2P — CID 150509084

IUPACcyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane
SMILESCCC1(OP(OC2CCC2)c2ccccc2)CCC1
InChIInChI=1S/C16H23O2P/c1-2-16(12-7-13-16)18-19(17-14-8-6-9-14)15-10-4-3-5-11-15/h3-5,10-11,14H,2,6-9,12-13H2,1H3
InChIKeyHZLKVHYJHFKBEY-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.54
Rot. Bonds6

About cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane

cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane (PubChem CID 150509084) has the molecular formula C16H23O2P and a molecular weight of 278.33 g/mol. Its IUPAC name is cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane.

Molecular Properties

Compound Namecyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane
PubChem CID150509084
Molecular FormulaC16H23O2P
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Namecyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane
SMILESCCC1(OP(OC2CCC2)c2ccccc2)CCC1
InChIInChI=1S/C16H23O2P/c1-2-16(12-7-13-16)18-19(17-14-8-6-9-14)15-10-4-3-5-11-15/h3-5,10-11,14H,2,6-9,12-13H2,1H3
InChIKeyHZLKVHYJHFKBEY-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane?
The IUPAC name of cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane (CID 150509084) is cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane.
What is the SMILES notation for cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane?
The canonical SMILES for cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane is CCC1(OP(OC2CCC2)c2ccccc2)CCC1.
What is the InChIKey of cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane?
The InChIKey is HZLKVHYJHFKBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O2P/c1-2-16(12-7-13-16)18-19(17-14-8-6-9-14)15-10-4-3-5-11-15/h3-5,10-11,14H,2,6-9,12-13H2,1H3.
What are the key properties of cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane?
cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane has a molecular weight of 278.33 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane is sourced from PubChem (CID 150509084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).