CID 91369062

C8H16BO — CID 91369062

IUPAC—
SMILESC[B]C1CC1(C)CC(C)O
InChIInChI=1S/C8H16BO/c1-6(10)4-8(2)5-7(8)9-3/h6-7,10H,4-5H2,1-3H3
InChIKeyGKASMUIQZKVLSG-UHFFFAOYSA-N
MW139.03 g/mol
LogP1.71
Rot. Bonds3

About CID 91369062

CID 91369062 (PubChem CID 91369062) has the molecular formula C8H16BO and a molecular weight of 139.03 g/mol.

Molecular Properties

Compound NameCID 91369062
PubChem CID91369062
Molecular FormulaC8H16BO
Molecular Weight139.03 g/mol
Exact Mass139.13
IUPAC Name—
SMILESC[B]C1CC1(C)CC(C)O
InChIInChI=1S/C8H16BO/c1-6(10)4-8(2)5-7(8)9-3/h6-7,10H,4-5H2,1-3H3
InChIKeyGKASMUIQZKVLSG-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.03
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 91369062?
The IUPAC name of CID 91369062 (CID 91369062) is not available.
What is the SMILES notation for CID 91369062?
The canonical SMILES for CID 91369062 is C[B]C1CC1(C)CC(C)O.
What is the InChIKey of CID 91369062?
The InChIKey is GKASMUIQZKVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BO/c1-6(10)4-8(2)5-7(8)9-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of CID 91369062?
CID 91369062 has a molecular weight of 139.03 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91369062 is sourced from PubChem (CID 91369062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).