CID 159015960

C13H28B — CID 159015960

IUPAC—
SMILESCC.CC.CC.CC1(C)C=CC=C1.[B]
InChIInChI=1S/C7H10.3C2H6.B/c1-7(2)5-3-4-6-7;3*1-2;/h3-6H,1-2H3;3*1-2H3;
InChIKeyRRLHGICXPDQYRN-UHFFFAOYSA-N
MW195.18 g/mol
LogP4.84
Rot. Bonds

About CID 159015960

CID 159015960 (PubChem CID 159015960) has the molecular formula C13H28B and a molecular weight of 195.18 g/mol.

Molecular Properties

Compound NameCID 159015960
PubChem CID159015960
Molecular FormulaC13H28B
Molecular Weight195.18 g/mol
Exact Mass195.23
IUPAC Name—
SMILESCC.CC.CC.CC1(C)C=CC=C1.[B]
InChIInChI=1S/C7H10.3C2H6.B/c1-7(2)5-3-4-6-7;3*1-2;/h3-6H,1-2H3;3*1-2H3;
InChIKeyRRLHGICXPDQYRN-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 54.84
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 159015960?
The IUPAC name of CID 159015960 (CID 159015960) is not available.
What is the SMILES notation for CID 159015960?
The canonical SMILES for CID 159015960 is CC.CC.CC.CC1(C)C=CC=C1.[B].
What is the InChIKey of CID 159015960?
The InChIKey is RRLHGICXPDQYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.3C2H6.B/c1-7(2)5-3-4-6-7;3*1-2;/h3-6H,1-2H3;3*1-2H3;.
What are the key properties of CID 159015960?
CID 159015960 has a molecular weight of 195.18 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159015960 is sourced from PubChem (CID 159015960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).