CID 177262276

C10H21BO5 — CID 177262276

IUPAC—
SMILES[B]CCOCC(O)COCCC(O)COC
InChIInChI=1S/C10H21BO5/c1-14-6-9(12)2-4-15-7-10(13)8-16-5-3-11/h9-10,12-13H,2-8H2,1H3
InChIKeySYROOEAOZUJNSN-UHFFFAOYSA-N
MW232.08 g/mol
LogP-0.64
Rot. Bonds11

About CID 177262276

CID 177262276 (PubChem CID 177262276) has the molecular formula C10H21BO5 and a molecular weight of 232.08 g/mol.

Molecular Properties

Compound NameCID 177262276
PubChem CID177262276
Molecular FormulaC10H21BO5
Molecular Weight232.08 g/mol
Exact Mass232.15
IUPAC Name—
SMILES[B]CCOCC(O)COCCC(O)COC
InChIInChI=1S/C10H21BO5/c1-14-6-9(12)2-4-15-7-10(13)8-16-5-3-11/h9-10,12-13H,2-8H2,1H3
InChIKeySYROOEAOZUJNSN-UHFFFAOYSA-N
XLogP-0.64
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
3-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]propanenitrile
CID 177118275
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-methoxy-5-propoxypentan-2-ol
CID 106455960
1-(4,4-dimethylpentoxy)-4-methoxybutan-2-ol
CID 161370706

Frequently Asked Questions

What is the IUPAC name of CID 177262276?
The IUPAC name of CID 177262276 (CID 177262276) is not available.
What is the SMILES notation for CID 177262276?
The canonical SMILES for CID 177262276 is [B]CCOCC(O)COCCC(O)COC.
What is the InChIKey of CID 177262276?
The InChIKey is SYROOEAOZUJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO5/c1-14-6-9(12)2-4-15-7-10(13)8-16-5-3-11/h9-10,12-13H,2-8H2,1H3.
What are the key properties of CID 177262276?
CID 177262276 has a molecular weight of 232.08 g/mol, XLogP of -0.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177262276 is sourced from PubChem (CID 177262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).