CID 162267024

C15H28B — CID 162267024

IUPAC—
SMILESCC1(C)CC(C2C(C)(C)C2(C)C)C1(C)C.[B]
InChIInChI=1S/C15H28.B/c1-12(2)9-10(13(12,3)4)11-14(5,6)15(11,7)8;/h10-11H,9H2,1-8H3;
InChIKeyMFULJFTVKNJTCP-UHFFFAOYSA-N
MW219.20 g/mol
LogP4.36
Rot. Bonds1

About CID 162267024

CID 162267024 (PubChem CID 162267024) has the molecular formula C15H28B and a molecular weight of 219.20 g/mol.

Molecular Properties

Compound NameCID 162267024
PubChem CID162267024
Molecular FormulaC15H28B
Molecular Weight219.20 g/mol
Exact Mass219.23
IUPAC Name—
SMILESCC1(C)CC(C2C(C)(C)C2(C)C)C1(C)C.[B]
InChIInChI=1S/C15H28.B/c1-12(2)9-10(13(12,3)4)11-14(5,6)15(11,7)8;/h10-11H,9H2,1-8H3;
InChIKeyMFULJFTVKNJTCP-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 54.36
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 162267024?
The IUPAC name of CID 162267024 (CID 162267024) is not available.
What is the SMILES notation for CID 162267024?
The canonical SMILES for CID 162267024 is CC1(C)CC(C2C(C)(C)C2(C)C)C1(C)C.[B].
What is the InChIKey of CID 162267024?
The InChIKey is MFULJFTVKNJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.B/c1-12(2)9-10(13(12,3)4)11-14(5,6)15(11,7)8;/h10-11H,9H2,1-8H3;.
What are the key properties of CID 162267024?
CID 162267024 has a molecular weight of 219.20 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162267024 is sourced from PubChem (CID 162267024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).