CID 123245055

C18H37BO — CID 123245055

IUPAC—
SMILES[B]OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H37BO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h2-18H2,1H3
InChIKeyUKYRRXPOMVCUJF-UHFFFAOYSA-N
MW280.30 g/mol
LogP6.35
Rot. Bonds17

About CID 123245055

CID 123245055 (PubChem CID 123245055) has the molecular formula C18H37BO and a molecular weight of 280.30 g/mol.

Molecular Properties

Compound NameCID 123245055
PubChem CID123245055
Molecular FormulaC18H37BO
Molecular Weight280.30 g/mol
Exact Mass280.29
IUPAC Name—
SMILES[B]OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H37BO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h2-18H2,1H3
InChIKeyUKYRRXPOMVCUJF-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.30
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 123245055 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

CID 157317157
CID 157317157
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
pentoxyphosphanium
CID 151109139
dodecylmercury;hydrate
CID 78070234
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of CID 123245055?
The IUPAC name of CID 123245055 (CID 123245055) is not available.
What is the SMILES notation for CID 123245055?
The canonical SMILES for CID 123245055 is [B]OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 123245055?
The InChIKey is UKYRRXPOMVCUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37BO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h2-18H2,1H3.
What are the key properties of CID 123245055?
CID 123245055 has a molecular weight of 280.30 g/mol, XLogP of 6.35, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123245055 is sourced from PubChem (CID 123245055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).