boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane

C10H25BO5 — CID 175110139

IUPACboric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
SMILESCC(C)OCCOCC(C)(C)C.OB(O)O
InChIInChI=1S/C10H22O2.BH3O3/c1-9(2)12-7-6-11-8-10(3,4)5;2-1(3)4/h9H,6-8H2,1-5H3;2-4H
InChIKeyIQCPWGHIJSCEBW-UHFFFAOYSA-N
MW236.12 g/mol
LogP0.42
Rot. Bonds5

About boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane

boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane (PubChem CID 175110139) has the molecular formula C10H25BO5 and a molecular weight of 236.12 g/mol. Its IUPAC name is boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane.

Molecular Properties

Compound Nameboric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
PubChem CID175110139
Molecular FormulaC10H25BO5
Molecular Weight236.12 g/mol
Exact Mass236.18
IUPAC Nameboric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
SMILESCC(C)OCCOCC(C)(C)C.OB(O)O
InChIInChI=1S/C10H22O2.BH3O3/c1-9(2)12-7-6-11-8-10(3,4)5;2-1(3)4/h9H,6-8H2,1-5H3;2-4H
InChIKeyIQCPWGHIJSCEBW-UHFFFAOYSA-N
XLogP0.42
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 50.42
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane?
The IUPAC name of boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane (CID 175110139) is boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane.
What is the SMILES notation for boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane?
The canonical SMILES for boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane is CC(C)OCCOCC(C)(C)C.OB(O)O.
What is the InChIKey of boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane?
The InChIKey is IQCPWGHIJSCEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.BH3O3/c1-9(2)12-7-6-11-8-10(3,4)5;2-1(3)4/h9H,6-8H2,1-5H3;2-4H.
What are the key properties of boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane?
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane has a molecular weight of 236.12 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane is sourced from PubChem (CID 175110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).