1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide

C12H25O2P — CID 566357

IUPAC1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide
SMILESCCCCOP1(=O)C(C)(C)C(C)C1(C)C
InChIInChI=1S/C12H25O2P/c1-7-8-9-14-15(13)11(3,4)10(2)12(15,5)6/h10H,7-9H2,1-6H3
InChIKeyUQSKZHRRQUGXDF-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.29
Rot. Bonds4

About 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide

1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide (PubChem CID 566357) has the molecular formula C12H25O2P and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide.

Molecular Properties

Compound Name1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide
PubChem CID566357
Molecular FormulaC12H25O2P
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide
SMILESCCCCOP1(=O)C(C)(C)C(C)C1(C)C
InChIInChI=1S/C12H25O2P/c1-7-8-9-14-15(13)11(3,4)10(2)12(15,5)6/h10H,7-9H2,1-6H3
InChIKeyUQSKZHRRQUGXDF-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine
CID 10803227
magnesium;1-methoxybutane;diiodide
CID 175076057
4-dodecoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
CID 70636781
(1S,2S,8R,9R)-5-butoxy-4,6-dioxa-5λ5-phosphatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
CID 118066349
2-hexoxy-4,6-dihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 141080121
1-butylperoxybutane
CID 159275797
dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854
hexane;oxomercury
CID 174814256
5-butoxy-1,6-dimethylcyclohexa-2,4-diene-1-thiol
CID 175083789
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
3-butoxy-3-propylcyclopropane-1,2-dione
CID 141223246

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide?
The IUPAC name of 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide (CID 566357) is 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide.
What is the SMILES notation for 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide?
The canonical SMILES for 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide is CCCCOP1(=O)C(C)(C)C(C)C1(C)C.
What is the InChIKey of 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide?
The InChIKey is UQSKZHRRQUGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O2P/c1-7-8-9-14-15(13)11(3,4)10(2)12(15,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide?
1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide has a molecular weight of 232.30 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,2,3,4,4-pentamethyl-1lambda5-phosphetane 1-oxide is sourced from PubChem (CID 566357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).