CID 88856080

C11H24BO2S — CID 88856080

IUPAC—
SMILESCCC(C)OCCC(C)([B]OCS)CC
InChIInChI=1S/C11H24BO2S/c1-5-10(3)13-8-7-11(4,6-2)12-14-9-15/h10,15H,5-9H2,1-4H3
InChIKeyOIKOLBKIWQEXEO-UHFFFAOYSA-N
MW231.19 g/mol
LogP3.30
Rot. Bonds9

About CID 88856080

CID 88856080 (PubChem CID 88856080) has the molecular formula C11H24BO2S and a molecular weight of 231.19 g/mol.

Molecular Properties

Compound NameCID 88856080
PubChem CID88856080
Molecular FormulaC11H24BO2S
Molecular Weight231.19 g/mol
Exact Mass231.16
IUPAC Name—
SMILESCCC(C)OCCC(C)([B]OCS)CC
InChIInChI=1S/C11H24BO2S/c1-5-10(3)13-8-7-11(4,6-2)12-14-9-15/h10,15H,5-9H2,1-4H3
InChIKeyOIKOLBKIWQEXEO-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol
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3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
CID 89078030
ethane;2-(2-methoxyethoxy)butane
CID 168922397
(1-butan-2-yloxy-3-methylpentan-3-yl) 2-tert-butyl-4-methylpentanoate
CID 138498280
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane
CID 91062928
4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol
CID 118429106
2-(3-butan-2-yloxypropylperoxy)butan-2-ol
CID 90880125
CID 174061801
CID 174061801
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662

Frequently Asked Questions

What is the IUPAC name of CID 88856080?
The IUPAC name of CID 88856080 (CID 88856080) is not available.
What is the SMILES notation for CID 88856080?
The canonical SMILES for CID 88856080 is CCC(C)OCCC(C)([B]OCS)CC.
What is the InChIKey of CID 88856080?
The InChIKey is OIKOLBKIWQEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BO2S/c1-5-10(3)13-8-7-11(4,6-2)12-14-9-15/h10,15H,5-9H2,1-4H3.
What are the key properties of CID 88856080?
CID 88856080 has a molecular weight of 231.19 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88856080 is sourced from PubChem (CID 88856080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).