[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium

C14H28O2P+ — CID 54556726

IUPAC[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium
SMILESCC1OC(C(C)(C)C(C)(C)[P+](C)=O)C(C)C1C
InChIInChI=1S/C14H28O2P/c1-9-10(2)12(16-11(9)3)13(4,5)14(6,7)17(8)15/h9-12H,1-8H3/q+1
InChIKeyPFSUENHIHQGOLU-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.31
Rot. Bonds3

About [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium

[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium (PubChem CID 54556726) has the molecular formula C14H28O2P+ and a molecular weight of 259.35 g/mol. Its IUPAC name is [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium.

Molecular Properties

Compound Name[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium
PubChem CID54556726
Molecular FormulaC14H28O2P+
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium
SMILESCC1OC(C(C)(C)C(C)(C)[P+](C)=O)C(C)C1C
InChIInChI=1S/C14H28O2P/c1-9-10(2)12(16-11(9)3)13(4,5)14(6,7)17(8)15/h9-12H,1-8H3/q+1
InChIKeyPFSUENHIHQGOLU-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane
CID 126702754
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
(2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
CID 118055686
2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
CID 58498262
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
(3R,5S,6R)-6-tert-butyl-2,5-dimethyloxan-3-ol
CID 167642620
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(5S)-3,4,5,6-tetramethyloxan-2-ol
CID 142821764
hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium
CID 22807531

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium?
The IUPAC name of [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium (CID 54556726) is [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium.
What is the SMILES notation for [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium?
The canonical SMILES for [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium is CC1OC(C(C)(C)C(C)(C)[P+](C)=O)C(C)C1C.
What is the InChIKey of [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium?
The InChIKey is PFSUENHIHQGOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2P/c1-9-10(2)12(16-11(9)3)13(4,5)14(6,7)17(8)15/h9-12H,1-8H3/q+1.
What are the key properties of [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium?
[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium has a molecular weight of 259.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium is sourced from PubChem (CID 54556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).