CID 59795660

C13H23B — CID 59795660

IUPAC—
SMILES[B]C1C2C(C)(C)C2(CC)C(C)C1(C)C
InChIInChI=1S/C13H23B/c1-7-13-8(2)11(3,4)10(14)9(13)12(13,5)6/h8-10H,7H2,1-6H3
InChIKeyGHRIYSQKCJJJBR-UHFFFAOYSA-N
MW190.14 g/mol
LogP3.67
Rot. Bonds1

About CID 59795660

CID 59795660 (PubChem CID 59795660) has the molecular formula C13H23B and a molecular weight of 190.14 g/mol.

Molecular Properties

Compound NameCID 59795660
PubChem CID59795660
Molecular FormulaC13H23B
Molecular Weight190.14 g/mol
Exact Mass190.19
IUPAC Name—
SMILES[B]C1C2C(C)(C)C2(CC)C(C)C1(C)C
InChIInChI=1S/C13H23B/c1-7-13-8(2)11(3,4)10(14)9(13)12(13,5)6/h8-10H,7H2,1-6H3
InChIKeyGHRIYSQKCJJJBR-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 53.67
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 59795660?
The IUPAC name of CID 59795660 (CID 59795660) is not available.
What is the SMILES notation for CID 59795660?
The canonical SMILES for CID 59795660 is [B]C1C2C(C)(C)C2(CC)C(C)C1(C)C.
What is the InChIKey of CID 59795660?
The InChIKey is GHRIYSQKCJJJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23B/c1-7-13-8(2)11(3,4)10(14)9(13)12(13,5)6/h8-10H,7H2,1-6H3.
What are the key properties of CID 59795660?
CID 59795660 has a molecular weight of 190.14 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59795660 is sourced from PubChem (CID 59795660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).