CID 142148322

C10H18BO2 — CID 142148322

IUPAC—
SMILES[B]1CCCOC1CC1CCCCO1
InChIInChI=1S/C10H18BO2/c1-2-6-12-9(4-1)8-10-11-5-3-7-13-10/h9-10H,1-8H2
InChIKeyOSFDSFRQHUXFOF-UHFFFAOYSA-N
MW181.06 g/mol
LogP1.81
Rot. Bonds2

About CID 142148322

CID 142148322 (PubChem CID 142148322) has the molecular formula C10H18BO2 and a molecular weight of 181.06 g/mol.

Molecular Properties

Compound NameCID 142148322
PubChem CID142148322
Molecular FormulaC10H18BO2
Molecular Weight181.06 g/mol
Exact Mass181.14
IUPAC Name—
SMILES[B]1CCCOC1CC1CCCCO1
InChIInChI=1S/C10H18BO2/c1-2-6-12-9(4-1)8-10-11-5-3-7-13-10/h9-10H,1-8H2
InChIKeyOSFDSFRQHUXFOF-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 142148322 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-(oxan-2-ylmethyl)oxane
CID 67860654
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
(2S)-2-(bromomethyl)oxane
CID 13022883
[(2S)-oxan-2-yl]methanol
CID 6950811
2-(cyclopropylmethyl)oxolane
CID 57067840
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
(2S)-2-(fluoromethyl)oxane
CID 126712338
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
2-[(2-bromocycloheptyl)methyl]oxolane
CID 62550191
ethanol;oxan-2-ylmethanol
CID 66900182

Frequently Asked Questions

What is the IUPAC name of CID 142148322?
The IUPAC name of CID 142148322 (CID 142148322) is not available.
What is the SMILES notation for CID 142148322?
The canonical SMILES for CID 142148322 is [B]1CCCOC1CC1CCCCO1.
What is the InChIKey of CID 142148322?
The InChIKey is OSFDSFRQHUXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BO2/c1-2-6-12-9(4-1)8-10-11-5-3-7-13-10/h9-10H,1-8H2.
What are the key properties of CID 142148322?
CID 142148322 has a molecular weight of 181.06 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142148322 is sourced from PubChem (CID 142148322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).