CID 153035258

C10H17BO3 — CID 153035258

IUPAC—
SMILES[B]C1OC2(COC)CCCC1C2OC
InChIInChI=1S/C10H17BO3/c1-12-6-10-5-3-4-7(8(10)13-2)9(11)14-10/h7-9H,3-6H2,1-2H3
InChIKeyMQHZMZZAAWKYNR-UHFFFAOYSA-N
MW196.05 g/mol
LogP0.71
Rot. Bonds3

About CID 153035258

CID 153035258 (PubChem CID 153035258) has the molecular formula C10H17BO3 and a molecular weight of 196.05 g/mol.

Molecular Properties

Compound NameCID 153035258
PubChem CID153035258
Molecular FormulaC10H17BO3
Molecular Weight196.05 g/mol
Exact Mass196.13
IUPAC Name—
SMILES[B]C1OC2(COC)CCCC1C2OC
InChIInChI=1S/C10H17BO3/c1-12-6-10-5-3-4-7(8(10)13-2)9(11)14-10/h7-9H,3-6H2,1-2H3
InChIKeyMQHZMZZAAWKYNR-UHFFFAOYSA-N
XLogP0.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 153035258?
The IUPAC name of CID 153035258 (CID 153035258) is not available.
What is the SMILES notation for CID 153035258?
The canonical SMILES for CID 153035258 is [B]C1OC2(COC)CCCC1C2OC.
What is the InChIKey of CID 153035258?
The InChIKey is MQHZMZZAAWKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO3/c1-12-6-10-5-3-4-7(8(10)13-2)9(11)14-10/h7-9H,3-6H2,1-2H3.
What are the key properties of CID 153035258?
CID 153035258 has a molecular weight of 196.05 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153035258 is sourced from PubChem (CID 153035258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).