CID 18764351

C7H15BO2- — CID 18764351

IUPAC—
SMILES[B-]C(OC(C)C)OC(C)C
InChIInChI=1S/C7H15BO2/c1-5(2)9-7(8)10-6(3)4/h5-7H,1-4H3/q-1
InChIKeyVLJBKIMXIRFTCM-UHFFFAOYSA-N
MW142.01 g/mol
LogP1.29
Rot. Bonds4

About CID 18764351

CID 18764351 (PubChem CID 18764351) has the molecular formula C7H15BO2- and a molecular weight of 142.01 g/mol.

Molecular Properties

Compound NameCID 18764351
PubChem CID18764351
Molecular FormulaC7H15BO2-
Molecular Weight142.01 g/mol
Exact Mass142.12
IUPAC Name—
SMILES[B-]C(OC(C)C)OC(C)C
InChIInChI=1S/C7H15BO2/c1-5(2)9-7(8)10-6(3)4/h5-7H,1-4H3/q-1
InChIKeyVLJBKIMXIRFTCM-UHFFFAOYSA-N
XLogP1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-propan-2-yloxyethoxy)propane;titanium
CID 174925099
cyclohexane;2-propan-2-yloxypropane
CID 22558525
azane;methanol;2-propan-2-yloxypropane;hydrate
CID 173089924
methanol;propan-2-ol;2-propan-2-yloxypropane
CID 88645420
(3R)-2-methyl-3-propan-2-yloxybutane
CID 40522025
1-propan-2-yloxyethylsilane
CID 123194155
CID 22593281
CID 22593281
2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane
CID 91360012
carbonic acid;2-propan-2-yloxypropane
CID 158018053
CID 57100854
CID 57100854
3-propan-2-yloxybut-1-ene
CID 91544086
sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
CID 5255430

Frequently Asked Questions

What is the IUPAC name of CID 18764351?
The IUPAC name of CID 18764351 (CID 18764351) is not available.
What is the SMILES notation for CID 18764351?
The canonical SMILES for CID 18764351 is [B-]C(OC(C)C)OC(C)C.
What is the InChIKey of CID 18764351?
The InChIKey is VLJBKIMXIRFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2/c1-5(2)9-7(8)10-6(3)4/h5-7H,1-4H3/q-1.
What are the key properties of CID 18764351?
CID 18764351 has a molecular weight of 142.01 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18764351 is sourced from PubChem (CID 18764351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).