CID 67166180

C14H22BO2 — CID 67166180

IUPAC—
SMILESCC1CC=C(O[B]OC2=CCC(C)CC2)CC1
InChIInChI=1S/C14H22BO2/c1-11-3-7-13(8-4-11)16-15-17-14-9-5-12(2)6-10-14/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyRUOBBYAKYGNZJW-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.96
Rot. Bonds4

About CID 67166180

CID 67166180 (PubChem CID 67166180) has the molecular formula C14H22BO2 and a molecular weight of 233.14 g/mol.

Molecular Properties

Compound NameCID 67166180
PubChem CID67166180
Molecular FormulaC14H22BO2
Molecular Weight233.14 g/mol
Exact Mass233.17
IUPAC Name—
SMILESCC1CC=C(O[B]OC2=CCC(C)CC2)CC1
InChIInChI=1S/C14H22BO2/c1-11-3-7-13(8-4-11)16-15-17-14-9-5-12(2)6-10-14/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyRUOBBYAKYGNZJW-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.96
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 67166180?
The IUPAC name of CID 67166180 (CID 67166180) is not available.
What is the SMILES notation for CID 67166180?
The canonical SMILES for CID 67166180 is CC1CC=C(O[B]OC2=CCC(C)CC2)CC1.
What is the InChIKey of CID 67166180?
The InChIKey is RUOBBYAKYGNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BO2/c1-11-3-7-13(8-4-11)16-15-17-14-9-5-12(2)6-10-14/h7,9,11-12H,3-6,8,10H2,1-2H3.
What are the key properties of CID 67166180?
CID 67166180 has a molecular weight of 233.14 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67166180 is sourced from PubChem (CID 67166180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).