CID 178032478

C10H18BO2 — CID 178032478

IUPAC—
SMILESCC1(O[B]O)CC2C[C@H](C1)C2(C)C
InChIInChI=1S/C10H18BO2/c1-9(2)7-4-8(9)6-10(3,5-7)13-11-12/h7-8,12H,4-6H2,1-3H3/t7-,8?,10?/m1/s1
InChIKeyHVFFPKKKMDCOBE-ZNFPMYQNSA-N
MW181.06 g/mol
LogP1.74
Rot. Bonds2

About CID 178032478

CID 178032478 (PubChem CID 178032478) has the molecular formula C10H18BO2 and a molecular weight of 181.06 g/mol.

Molecular Properties

Compound NameCID 178032478
PubChem CID178032478
Molecular FormulaC10H18BO2
Molecular Weight181.06 g/mol
Exact Mass181.14
IUPAC Name—
SMILESCC1(O[B]O)CC2C[C@H](C1)C2(C)C
InChIInChI=1S/C10H18BO2/c1-9(2)7-4-8(9)6-10(3,5-7)13-11-12/h7-8,12H,4-6H2,1-3H3/t7-,8?,10?/m1/s1
InChIKeyHVFFPKKKMDCOBE-ZNFPMYQNSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.74
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 178032478?
The IUPAC name of CID 178032478 (CID 178032478) is not available.
What is the SMILES notation for CID 178032478?
The canonical SMILES for CID 178032478 is CC1(O[B]O)CC2C[C@H](C1)C2(C)C.
What is the InChIKey of CID 178032478?
The InChIKey is HVFFPKKKMDCOBE-ZNFPMYQNSA-N. The full InChI is InChI=1S/C10H18BO2/c1-9(2)7-4-8(9)6-10(3,5-7)13-11-12/h7-8,12H,4-6H2,1-3H3/t7-,8?,10?/m1/s1.
What are the key properties of CID 178032478?
CID 178032478 has a molecular weight of 181.06 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178032478 is sourced from PubChem (CID 178032478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).