CID 174061801

C12H26BO2 — CID 174061801

IUPAC—
SMILESCCC(C)OCC(CC)O[B]C(C)(C)C
InChIInChI=1S/C12H26BO2/c1-7-10(3)14-9-11(8-2)15-13-12(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyZQWOHTXRYFQKEN-UHFFFAOYSA-N
MW213.15 g/mol
LogP3.43
Rot. Bonds7

About CID 174061801

CID 174061801 (PubChem CID 174061801) has the molecular formula C12H26BO2 and a molecular weight of 213.15 g/mol.

Molecular Properties

Compound NameCID 174061801
PubChem CID174061801
Molecular FormulaC12H26BO2
Molecular Weight213.15 g/mol
Exact Mass213.20
IUPAC Name—
SMILESCCC(C)OCC(CC)O[B]C(C)(C)C
InChIInChI=1S/C12H26BO2/c1-7-10(3)14-9-11(8-2)15-13-12(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyZQWOHTXRYFQKEN-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butan-2-yloxypropan-2-yloxy)propan-2-amine
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1,3-di(butan-2-yloxy)propan-2-ol
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3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 21353311
1-butan-2-yloxypropan-2-yl formate
CID 139655513
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1-butan-2-yloxypentan-2-yloxybenzene
CID 58764439
CID 88856080
CID 88856080
2-methyl-1-pentan-3-yloxybutane
CID 23377308
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
CID 157107296

Frequently Asked Questions

What is the IUPAC name of CID 174061801?
The IUPAC name of CID 174061801 (CID 174061801) is not available.
What is the SMILES notation for CID 174061801?
The canonical SMILES for CID 174061801 is CCC(C)OCC(CC)O[B]C(C)(C)C.
What is the InChIKey of CID 174061801?
The InChIKey is ZQWOHTXRYFQKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BO2/c1-7-10(3)14-9-11(8-2)15-13-12(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of CID 174061801?
CID 174061801 has a molecular weight of 213.15 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174061801 is sourced from PubChem (CID 174061801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).