[butan-2-yl(butan-2-yloxy)phosphoryl]benzene

C14H23O2P — CID 141334363

IUPAC[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
SMILESCCC(C)OP(=O)(c1ccccc1)C(C)CC
InChIInChI=1S/C14H23O2P/c1-5-12(3)16-17(15,13(4)6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyBEESQHYTCZNZIG-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.20
Rot. Bonds6

About [butan-2-yl(butan-2-yloxy)phosphoryl]benzene

[butan-2-yl(butan-2-yloxy)phosphoryl]benzene (PubChem CID 141334363) has the molecular formula C14H23O2P and a molecular weight of 254.31 g/mol. Its IUPAC name is [butan-2-yl(butan-2-yloxy)phosphoryl]benzene.

Molecular Properties

Compound Name[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
PubChem CID141334363
Molecular FormulaC14H23O2P
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
SMILESCCC(C)OP(=O)(c1ccccc1)C(C)CC
InChIInChI=1S/C14H23O2P/c1-5-12(3)16-17(15,13(4)6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyBEESQHYTCZNZIG-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.20
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 [butan-2-yl(butan-2-yloxy)phosphoryl]benzene?
The IUPAC name of [butan-2-yl(butan-2-yloxy)phosphoryl]benzene (CID 141334363) is [butan-2-yl(butan-2-yloxy)phosphoryl]benzene.
What is the SMILES notation for [butan-2-yl(butan-2-yloxy)phosphoryl]benzene?
The canonical SMILES for [butan-2-yl(butan-2-yloxy)phosphoryl]benzene is CCC(C)OP(=O)(c1ccccc1)C(C)CC.
What is the InChIKey of [butan-2-yl(butan-2-yloxy)phosphoryl]benzene?
The InChIKey is BEESQHYTCZNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O2P/c1-5-12(3)16-17(15,13(4)6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3.
What are the key properties of [butan-2-yl(butan-2-yloxy)phosphoryl]benzene?
[butan-2-yl(butan-2-yloxy)phosphoryl]benzene has a molecular weight of 254.31 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl(butan-2-yloxy)phosphoryl]benzene is sourced from PubChem (CID 141334363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).