CID 71106654

C15H22BO2 — CID 71106654

IUPAC—
SMILESC[B]c1cccc(CCCOC2CCCCO2)c1
InChIInChI=1S/C15H22BO2/c1-16-14-8-4-6-13(12-14)7-5-11-18-15-9-2-3-10-17-15/h4,6,8,12,15H,2-3,5,7,9-11H2,1H3
InChIKeyCQZKUILYFTUGOU-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.54
Rot. Bonds6

About CID 71106654

CID 71106654 (PubChem CID 71106654) has the molecular formula C15H22BO2 and a molecular weight of 245.15 g/mol.

Molecular Properties

Compound NameCID 71106654
PubChem CID71106654
Molecular FormulaC15H22BO2
Molecular Weight245.15 g/mol
Exact Mass245.17
IUPAC Name—
SMILESC[B]c1cccc(CCCOC2CCCCO2)c1
InChIInChI=1S/C15H22BO2/c1-16-14-8-4-6-13(12-14)7-5-11-18-15-9-2-3-10-17-15/h4,6,8,12,15H,2-3,5,7,9-11H2,1H3
InChIKeyCQZKUILYFTUGOU-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate
CID 10452492
3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
CID 157088552
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
methyl 4-[(E)-2-[3-[3-(oxan-2-yloxy)propyl]phenyl]ethenyl]benzoate
CID 10022678
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid
CID 11723415
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
(E)-6-[3-[3-(oxan-2-yloxy)propyl]phenyl]hex-5-enoic acid
CID 10042403
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029

Frequently Asked Questions

What is the IUPAC name of CID 71106654?
The IUPAC name of CID 71106654 (CID 71106654) is not available.
What is the SMILES notation for CID 71106654?
The canonical SMILES for CID 71106654 is C[B]c1cccc(CCCOC2CCCCO2)c1.
What is the InChIKey of CID 71106654?
The InChIKey is CQZKUILYFTUGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BO2/c1-16-14-8-4-6-13(12-14)7-5-11-18-15-9-2-3-10-17-15/h4,6,8,12,15H,2-3,5,7,9-11H2,1H3.
What are the key properties of CID 71106654?
CID 71106654 has a molecular weight of 245.15 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71106654 is sourced from PubChem (CID 71106654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).