hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium

C10H20O5P+ — CID 88652697

IUPAChydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium
SMILESCOC(C)(C)CCCCC(=O)CO[P+](=O)O
InChIInChI=1S/C10H19O5P/c1-10(2,14-3)7-5-4-6-9(11)8-15-16(12)13/h4-8H2,1-3H3/p+1
InChIKeyNUKGUUNFANYREL-UHFFFAOYSA-O
MW251.24 g/mol
LogP2.21
Rot. Bonds9

About hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium

hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium (PubChem CID 88652697) has the molecular formula C10H20O5P+ and a molecular weight of 251.24 g/mol. Its IUPAC name is hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium
PubChem CID88652697
Molecular FormulaC10H20O5P+
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC Namehydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium
SMILESCOC(C)(C)CCCCC(=O)CO[P+](=O)O
InChIInChI=1S/C10H19O5P/c1-10(2,14-3)7-5-4-6-9(11)8-15-16(12)13/h4-8H2,1-3H3/p+1
InChIKeyNUKGUUNFANYREL-UHFFFAOYSA-O
XLogP2.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

8-methoxy-8-methylnonan-3-one
CID 103037503
7-methoxy-7-methyloctan-1-ol
CID 175444354
10-methoxy-2,10-dimethylundecanoic acid
CID 138478645
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
methyl 6,6-dimethylheptanoate
CID 20777196
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
9-methoxy-8,8-dimethyl-9-oxononanoic acid
CID 156679792
1,6-dimethoxy-6-methylheptane
CID 89190127
(E)-7-methoxy-3,7-dimethyloct-2-enal
CID 14038266
1-ethoxy-6-methoxy-6-methylheptan-3-one
CID 103024480
2,7-dimethoxy-7-methyloctan-4-one
CID 103035419

Frequently Asked Questions

What is the IUPAC name of hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium?
The IUPAC name of hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium (CID 88652697) is hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium is COC(C)(C)CCCCC(=O)CO[P+](=O)O.
What is the InChIKey of hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium?
The InChIKey is NUKGUUNFANYREL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19O5P/c1-10(2,14-3)7-5-4-6-9(11)8-15-16(12)13/h4-8H2,1-3H3/p+1.
What are the key properties of hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium?
hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium has a molecular weight of 251.24 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium is sourced from PubChem (CID 88652697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).