CID 102196608

C16H24BO2 — CID 102196608

IUPAC—
SMILESCCC[CH]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C16H24BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h8-12H,6-7H2,1-5H3
InChIKeyQQEVDEDQYBLZCN-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.34
Rot. Bonds4

About CID 102196608

CID 102196608 (PubChem CID 102196608) has the molecular formula C16H24BO2 and a molecular weight of 259.18 g/mol.

Molecular Properties

Compound NameCID 102196608
PubChem CID102196608
Molecular FormulaC16H24BO2
Molecular Weight259.18 g/mol
Exact Mass259.19
IUPAC Name—
SMILESCCC[CH]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C16H24BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h8-12H,6-7H2,1-5H3
InChIKeyQQEVDEDQYBLZCN-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.34
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

CID 102196609
CID 102196609
2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23629516
4,4,5,5-tetramethyl-2-[4-[4-[(Z)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 177481302
4,4,5,5-tetramethyl-2-[4-(oxan-4-ylidenemethyl)phenyl]-1,3,2-dioxaborolane
CID 166487337
2-[4-(4-chlorobut-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170500133
2-[4-(4-bromobut-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170498438
4,4,5,5-tetramethyl-2-[4-(2-methylprop-1-enyl)phenyl]-1,3,2-dioxaborolane
CID 58150672
2-[4-(3-chloroprop-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169478276
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl]aniline
CID 72575172
N-(4-ethenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 142373817
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584

Frequently Asked Questions

What is the IUPAC name of CID 102196608?
The IUPAC name of CID 102196608 (CID 102196608) is not available.
What is the SMILES notation for CID 102196608?
The canonical SMILES for CID 102196608 is CCC[CH]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of CID 102196608?
The InChIKey is QQEVDEDQYBLZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h8-12H,6-7H2,1-5H3.
What are the key properties of CID 102196608?
CID 102196608 has a molecular weight of 259.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102196608 is sourced from PubChem (CID 102196608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).