CID 123389609

C6H10B — CID 123389609

IUPAC—
SMILESCC(C)CC1=C[B]1
InChIInChI=1S/C6H10B/c1-5(2)3-6-4-7-6/h4-5H,3H2,1-2H3
InChIKeyKRHNJYZKJWDPAX-UHFFFAOYSA-N
MW92.96 g/mol
LogP1.59
Rot. Bonds2

About CID 123389609

CID 123389609 (PubChem CID 123389609) has the molecular formula C6H10B and a molecular weight of 92.96 g/mol.

Molecular Properties

Compound NameCID 123389609
PubChem CID123389609
Molecular FormulaC6H10B
Molecular Weight92.96 g/mol
Exact Mass93.09
IUPAC Name—
SMILESCC(C)CC1=C[B]1
InChIInChI=1S/C6H10B/c1-5(2)3-6-4-7-6/h4-5H,3H2,1-2H3
InChIKeyKRHNJYZKJWDPAX-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.96
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 123389609?
The IUPAC name of CID 123389609 (CID 123389609) is not available.
What is the SMILES notation for CID 123389609?
The canonical SMILES for CID 123389609 is CC(C)CC1=C[B]1.
What is the InChIKey of CID 123389609?
The InChIKey is KRHNJYZKJWDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10B/c1-5(2)3-6-4-7-6/h4-5H,3H2,1-2H3.
What are the key properties of CID 123389609?
CID 123389609 has a molecular weight of 92.96 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123389609 is sourced from PubChem (CID 123389609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).