CID 67165643

C16H26BO2 — CID 67165643

IUPAC—
SMILESCCC1CC=C(O[B]OC2=CCC(CC)CC2)CC1
InChIInChI=1S/C16H26BO2/c1-3-13-5-9-15(10-6-13)18-17-19-16-11-7-14(4-2)8-12-16/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyZREFMRGGRJKMKD-UHFFFAOYSA-N
MW261.19 g/mol
LogP4.74
Rot. Bonds6

About CID 67165643

CID 67165643 (PubChem CID 67165643) has the molecular formula C16H26BO2 and a molecular weight of 261.19 g/mol.

Molecular Properties

Compound NameCID 67165643
PubChem CID67165643
Molecular FormulaC16H26BO2
Molecular Weight261.19 g/mol
Exact Mass261.20
IUPAC Name—
SMILESCCC1CC=C(O[B]OC2=CCC(CC)CC2)CC1
InChIInChI=1S/C16H26BO2/c1-3-13-5-9-15(10-6-13)18-17-19-16-11-7-14(4-2)8-12-16/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyZREFMRGGRJKMKD-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67165643?
The IUPAC name of CID 67165643 (CID 67165643) is not available.
What is the SMILES notation for CID 67165643?
The canonical SMILES for CID 67165643 is CCC1CC=C(O[B]OC2=CCC(CC)CC2)CC1.
What is the InChIKey of CID 67165643?
The InChIKey is ZREFMRGGRJKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BO2/c1-3-13-5-9-15(10-6-13)18-17-19-16-11-7-14(4-2)8-12-16/h9,11,13-14H,3-8,10,12H2,1-2H3.
What are the key properties of CID 67165643?
CID 67165643 has a molecular weight of 261.19 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67165643 is sourced from PubChem (CID 67165643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).