1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide

C12H23O2P — CID 21427403

IUPAC1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCCCCC(CC)COP1(=O)C=CCC1
InChIInChI=1S/C12H23O2P/c1-3-5-8-12(4-2)11-14-15(13)9-6-7-10-15/h6,9,12H,3-5,7-8,10-11H2,1-2H3
InChIKeyLCSALZWYDHZLKX-UHFFFAOYSA-N
MW230.29 g/mol
LogP4.41
Rot. Bonds7

About 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide

1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide (PubChem CID 21427403) has the molecular formula C12H23O2P and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide
PubChem CID21427403
Molecular FormulaC12H23O2P
Molecular Weight230.29 g/mol
Exact Mass230.14
IUPAC Name1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCCCCC(CC)COP1(=O)C=CCC1
InChIInChI=1S/C12H23O2P/c1-3-5-8-12(4-2)11-14-15(13)9-6-7-10-15/h6,9,12H,3-5,7-8,10-11H2,1-2H3
InChIKeyLCSALZWYDHZLKX-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 54.41
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

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-(2-ethylhexoxy)cyclohexa-1,3-diene
CID 19850583
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
(3S)-3-[(2R)-2-ethylhexoxy]thiolane 1,1-dioxide
CID 51410709
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
3-(difluoromethoxymethyl)heptane
CID 162429038
CID 88774019
CID 88774019
2-ethylhexoxy(oxo)phosphanium;iron(3+)
CID 158223582
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide (CID 21427403) is 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide is CCCCC(CC)COP1(=O)C=CCC1.
What is the InChIKey of 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is LCSALZWYDHZLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2P/c1-3-5-8-12(4-2)11-14-15(13)9-6-7-10-15/h6,9,12H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide?
1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 230.29 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-2,3-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 21427403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).