CID 90346656

C12H25B2O3 — CID 90346656

IUPAC—
SMILESCC(C)C(C)(C)O[B]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25B2O3/c1-9(2)10(3,4)15-13-14-16-11(5,6)12(7,8)17-14/h9H,1-8H3
InChIKeyCLFSAXOLTNYHTR-UHFFFAOYSA-N
MW238.95 g/mol
LogP2.65
Rot. Bonds4

About CID 90346656

CID 90346656 (PubChem CID 90346656) has the molecular formula C12H25B2O3 and a molecular weight of 238.95 g/mol.

Molecular Properties

Compound NameCID 90346656
PubChem CID90346656
Molecular FormulaC12H25B2O3
Molecular Weight238.95 g/mol
Exact Mass239.20
IUPAC Name—
SMILESCC(C)C(C)(C)O[B]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25B2O3/c1-9(2)10(3,4)15-13-14-16-11(5,6)12(7,8)17-14/h9H,1-8H3
InChIKeyCLFSAXOLTNYHTR-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.95
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 163491996
CID 163491996
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511
tert-butyl N-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]carbamate
CID 167729474
2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine
CID 13491260
tert-butyl (4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoate
CID 11680774
2-(1-bromoethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10399156
O-(2,3-dimethylbutan-2-yl)hydroxylamine
CID 22013600
tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
CID 102396896
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]carbamate
CID 167727881
CID 175613158
CID 175613158
chloro-methyl-propan-2-yloxy-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
CID 102217843
2-butan-2-yloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70947330

Frequently Asked Questions

What is the IUPAC name of CID 90346656?
The IUPAC name of CID 90346656 (CID 90346656) is not available.
What is the SMILES notation for CID 90346656?
The canonical SMILES for CID 90346656 is CC(C)C(C)(C)O[B]B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 90346656?
The InChIKey is CLFSAXOLTNYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25B2O3/c1-9(2)10(3,4)15-13-14-16-11(5,6)12(7,8)17-14/h9H,1-8H3.
What are the key properties of CID 90346656?
CID 90346656 has a molecular weight of 238.95 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90346656 is sourced from PubChem (CID 90346656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).