CID 88774019

C8H21O3Sb — CID 88774019

IUPAC—
SMILESCCCCC(CC)CO[Sb].O.O
InChIInChI=1S/C8H17O.2H2O.Sb/c1-3-5-6-8(4-2)7-9;;;/h8H,3-7H2,1-2H3;2*1H2;/q-1;;;+1
InChIKeyYMGSFZAWGQYYIR-UHFFFAOYSA-N
MW287.01 g/mol
LogP0.65
Rot. Bonds6

About CID 88774019

CID 88774019 (PubChem CID 88774019) has the molecular formula C8H21O3Sb and a molecular weight of 287.01 g/mol.

Molecular Properties

Compound NameCID 88774019
PubChem CID88774019
Molecular FormulaC8H21O3Sb
Molecular Weight287.01 g/mol
Exact Mass286.05
IUPAC Name—
SMILESCCCCC(CC)CO[Sb].O.O
InChIInChI=1S/C8H17O.2H2O.Sb/c1-3-5-6-8(4-2)7-9;;;/h8H,3-7H2,1-2H3;2*1H2;/q-1;;;+1
InChIKeyYMGSFZAWGQYYIR-UHFFFAOYSA-N
XLogP0.65
TPSA72.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.01
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
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[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
3-(difluoromethoxymethyl)heptane
CID 162429038
2-ethylhexoxymethanol
CID 18783221
nickel;tetrakis(tris(2-ethylhexyl) phosphite)
CID 14475286
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
3-(heptan-3-yloxymethyl)heptane
CID 90211738
tris[3-(2-ethylhexoxy)propyl]azanium
CID 173204281
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742

Frequently Asked Questions

What is the IUPAC name of CID 88774019?
The IUPAC name of CID 88774019 (CID 88774019) is not available.
What is the SMILES notation for CID 88774019?
The canonical SMILES for CID 88774019 is CCCCC(CC)CO[Sb].O.O.
What is the InChIKey of CID 88774019?
The InChIKey is YMGSFZAWGQYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.2H2O.Sb/c1-3-5-6-8(4-2)7-9;;;/h8H,3-7H2,1-2H3;2*1H2;/q-1;;;+1.
What are the key properties of CID 88774019?
CID 88774019 has a molecular weight of 287.01 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88774019 is sourced from PubChem (CID 88774019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).