CID 158971917

C17H36BO — CID 158971917

IUPAC—
SMILESCC.CC.CC(C)(C)C.CC(C)(C)c1ccco1.[B]
InChIInChI=1S/C8H12O.C5H12.2C2H6.B/c1-8(2,3)7-5-4-6-9-7;1-5(2,3)4;2*1-2;/h4-6H,1-3H3;1-4H3;2*1-2H3;
InChIKeyMLBQFTRQNPUIIA-UHFFFAOYSA-N
MW267.29 g/mol
LogP6.30
Rot. Bonds

About CID 158971917

CID 158971917 (PubChem CID 158971917) has the molecular formula C17H36BO and a molecular weight of 267.29 g/mol.

Molecular Properties

Compound NameCID 158971917
PubChem CID158971917
Molecular FormulaC17H36BO
Molecular Weight267.29 g/mol
Exact Mass267.29
IUPAC Name—
SMILESCC.CC.CC(C)(C)C.CC(C)(C)c1ccco1.[B]
InChIInChI=1S/C8H12O.C5H12.2C2H6.B/c1-8(2,3)7-5-4-6-9-7;1-5(2,3)4;2*1-2;/h4-6H,1-3H3;1-4H3;2*1-2H3;
InChIKeyMLBQFTRQNPUIIA-UHFFFAOYSA-N
XLogP6.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.29
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 158971917 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)propan-2-amine;hydron;chloride
CID 146472064
tris(furan-2-yl)methylsilane
CID 71354015
bis(furan-2-yl)methanediamine
CID 175922439
2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan
CID 87172751
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
2-[2-(furan-2-yl)propan-2-yl]-5-methylfuran
CID 14028609
3-(furan-2-yl)-N,3-dimethylbutan-1-amine
CID 79830783
2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide
CID 82109974
ethane;2-(furan-2-yl)furan
CID 161366084
2-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168
2-amino-1,1-bis(furan-2-yl)propan-1-ol
CID 139948043

Frequently Asked Questions

What is the IUPAC name of CID 158971917?
The IUPAC name of CID 158971917 (CID 158971917) is not available.
What is the SMILES notation for CID 158971917?
The canonical SMILES for CID 158971917 is CC.CC.CC(C)(C)C.CC(C)(C)c1ccco1.[B].
What is the InChIKey of CID 158971917?
The InChIKey is MLBQFTRQNPUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C5H12.2C2H6.B/c1-8(2,3)7-5-4-6-9-7;1-5(2,3)4;2*1-2;/h4-6H,1-3H3;1-4H3;2*1-2H3;.
What are the key properties of CID 158971917?
CID 158971917 has a molecular weight of 267.29 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158971917 is sourced from PubChem (CID 158971917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).