CID 58183549

C10H18BO2 — CID 58183549

IUPAC—
SMILESCC1(C)C[B]C2CCCC2(O)OC1
InChIInChI=1S/C10H18BO2/c1-9(2)6-11-8-4-3-5-10(8,12)13-7-9/h8,12H,3-7H2,1-2H3
InChIKeyYPFCHLQPCGZJOE-UHFFFAOYSA-N
MW181.06 g/mol
LogP1.83
Rot. Bonds

About CID 58183549

CID 58183549 (PubChem CID 58183549) has the molecular formula C10H18BO2 and a molecular weight of 181.06 g/mol.

Molecular Properties

Compound NameCID 58183549
PubChem CID58183549
Molecular FormulaC10H18BO2
Molecular Weight181.06 g/mol
Exact Mass181.14
IUPAC Name—
SMILESCC1(C)C[B]C2CCCC2(O)OC1
InChIInChI=1S/C10H18BO2/c1-9(2)6-11-8-4-3-5-10(8,12)13-7-9/h8,12H,3-7H2,1-2H3
InChIKeyYPFCHLQPCGZJOE-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 58183549?
The IUPAC name of CID 58183549 (CID 58183549) is not available.
What is the SMILES notation for CID 58183549?
The canonical SMILES for CID 58183549 is CC1(C)C[B]C2CCCC2(O)OC1.
What is the InChIKey of CID 58183549?
The InChIKey is YPFCHLQPCGZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BO2/c1-9(2)6-11-8-4-3-5-10(8,12)13-7-9/h8,12H,3-7H2,1-2H3.
What are the key properties of CID 58183549?
CID 58183549 has a molecular weight of 181.06 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58183549 is sourced from PubChem (CID 58183549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).