hexan-3-yloxy(oxo)phosphanium

C6H14O2P+ — CID 123426808

IUPAChexan-3-yloxy(oxo)phosphanium
SMILESCCCC(CC)O[PH+]=O
InChIInChI=1S/C6H14O2P/c1-3-5-6(4-2)8-9-7/h6,9H,3-5H2,1-2H3/q+1
InChIKeyKTMVADHKQSNRBG-UHFFFAOYSA-N
MW149.15 g/mol
LogP2.52
Rot. Bonds5

About hexan-3-yloxy(oxo)phosphanium

hexan-3-yloxy(oxo)phosphanium (PubChem CID 123426808) has the molecular formula C6H14O2P+ and a molecular weight of 149.15 g/mol. Its IUPAC name is hexan-3-yloxy(oxo)phosphanium.

Molecular Properties

Compound Namehexan-3-yloxy(oxo)phosphanium
PubChem CID123426808
Molecular FormulaC6H14O2P+
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namehexan-3-yloxy(oxo)phosphanium
SMILESCCCC(CC)O[PH+]=O
InChIInChI=1S/C6H14O2P/c1-3-5-6(4-2)8-9-7/h6,9H,3-5H2,1-2H3/q+1
InChIKeyKTMVADHKQSNRBG-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 52.52
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

5-ethyloctan-4-yloxy(oxo)phosphanium
CID 150301272
hexan-3-yloxyalumane
CID 173043505
trihexan-3-yl phosphate
CID 22497582
dihexan-3-yl sulfate
CID 19695163
trihexan-3-yl phosphite
CID 88792462
hexan-3-yl hydrogen sulfite
CID 57267799
dihexan-3-yl methanedisulfonate
CID 89482939
hexan-3-yloxy nitrite
CID 59085476
hexan-3-yl carbonofluoridate
CID 175528243
3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
3-(1-methoxyethoxy)hexane
CID 145051636
hexan-3-yl 2-(iodomethyl)butanoate
CID 121429214

Frequently Asked Questions

What is the IUPAC name of hexan-3-yloxy(oxo)phosphanium?
The IUPAC name of hexan-3-yloxy(oxo)phosphanium (CID 123426808) is hexan-3-yloxy(oxo)phosphanium.
What is the SMILES notation for hexan-3-yloxy(oxo)phosphanium?
The canonical SMILES for hexan-3-yloxy(oxo)phosphanium is CCCC(CC)O[PH+]=O.
What is the InChIKey of hexan-3-yloxy(oxo)phosphanium?
The InChIKey is KTMVADHKQSNRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2P/c1-3-5-6(4-2)8-9-7/h6,9H,3-5H2,1-2H3/q+1.
What are the key properties of hexan-3-yloxy(oxo)phosphanium?
hexan-3-yloxy(oxo)phosphanium has a molecular weight of 149.15 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yloxy(oxo)phosphanium is sourced from PubChem (CID 123426808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).