CID 174077683

C11H21BO2 — CID 174077683

IUPAC—
SMILES[B]C(C)C(C=C)C(CC)(COC)OC
InChIInChI=1S/C11H21BO2/c1-6-10(9(3)12)11(7-2,14-5)8-13-4/h6,9-10H,1,7-8H2,2-5H3
InChIKeyLDDIHBPVZYTNGN-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.21
Rot. Bonds7

About CID 174077683

CID 174077683 (PubChem CID 174077683) has the molecular formula C11H21BO2 and a molecular weight of 196.10 g/mol.

Molecular Properties

Compound NameCID 174077683
PubChem CID174077683
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name—
SMILES[B]C(C)C(C=C)C(CC)(COC)OC
InChIInChI=1S/C11H21BO2/c1-6-10(9(3)12)11(7-2,14-5)8-13-4/h6,9-10H,1,7-8H2,2-5H3
InChIKeyLDDIHBPVZYTNGN-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174077683?
The IUPAC name of CID 174077683 (CID 174077683) is not available.
What is the SMILES notation for CID 174077683?
The canonical SMILES for CID 174077683 is [B]C(C)C(C=C)C(CC)(COC)OC.
What is the InChIKey of CID 174077683?
The InChIKey is LDDIHBPVZYTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO2/c1-6-10(9(3)12)11(7-2,14-5)8-13-4/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of CID 174077683?
CID 174077683 has a molecular weight of 196.10 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174077683 is sourced from PubChem (CID 174077683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).