CID 20716765

C10H19BO2 — CID 20716765

IUPAC—
SMILES[B]C1OC(COC)C(C)(C)C1(C)C
InChIInChI=1S/C10H19BO2/c1-9(2)7(6-12-5)13-8(11)10(9,3)4/h7-8H,6H2,1-5H3
InChIKeyNCCDCDKZJFFRFM-UHFFFAOYSA-N
MW182.07 g/mol
LogP1.58
Rot. Bonds2

About CID 20716765

CID 20716765 (PubChem CID 20716765) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol.

Molecular Properties

Compound NameCID 20716765
PubChem CID20716765
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name—
SMILES[B]C1OC(COC)C(C)(C)C1(C)C
InChIInChI=1S/C10H19BO2/c1-9(2)7(6-12-5)13-8(11)10(9,3)4/h7-8H,6H2,1-5H3
InChIKeyNCCDCDKZJFFRFM-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 51.58
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 20716765?
The IUPAC name of CID 20716765 (CID 20716765) is not available.
What is the SMILES notation for CID 20716765?
The canonical SMILES for CID 20716765 is [B]C1OC(COC)C(C)(C)C1(C)C.
What is the InChIKey of CID 20716765?
The InChIKey is NCCDCDKZJFFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO2/c1-9(2)7(6-12-5)13-8(11)10(9,3)4/h7-8H,6H2,1-5H3.
What are the key properties of CID 20716765?
CID 20716765 has a molecular weight of 182.07 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20716765 is sourced from PubChem (CID 20716765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).