CID 174023475

C16H31BO — CID 174023475

IUPAC—
SMILES[B]C1(C)C(C)(O)C(CC)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H31BO/c1-10-11-12(2,3)13(4,5)14(6,7)16(9,17)15(11,8)18/h11,18H,10H2,1-9H3
InChIKeyXDAODVZYEORPOW-UHFFFAOYSA-N
MW250.23 g/mol
LogP4.20
Rot. Bonds1

About CID 174023475

CID 174023475 (PubChem CID 174023475) has the molecular formula C16H31BO and a molecular weight of 250.23 g/mol.

Molecular Properties

Compound NameCID 174023475
PubChem CID174023475
Molecular FormulaC16H31BO
Molecular Weight250.23 g/mol
Exact Mass250.25
IUPAC Name—
SMILES[B]C1(C)C(C)(O)C(CC)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H31BO/c1-10-11-12(2,3)13(4,5)14(6,7)16(9,17)15(11,8)18/h11,18H,10H2,1-9H3
InChIKeyXDAODVZYEORPOW-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174023475 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 174023476
CID 174023476
ethyl N-[1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopropyl]carbamate
CID 134171968
ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755363
3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
CID 142000591
2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane
CID 123284470
CID 173483395
CID 173483395
1-ethyl-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 76550157
(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol
CID 122450260
2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
CID 144667532
1,3-diethyl-1-methyl-2,2-di(propan-2-yl)cyclopropane
CID 123596430
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-one
CID 20781355

Frequently Asked Questions

What is the IUPAC name of CID 174023475?
The IUPAC name of CID 174023475 (CID 174023475) is not available.
What is the SMILES notation for CID 174023475?
The canonical SMILES for CID 174023475 is [B]C1(C)C(C)(O)C(CC)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of CID 174023475?
The InChIKey is XDAODVZYEORPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO/c1-10-11-12(2,3)13(4,5)14(6,7)16(9,17)15(11,8)18/h11,18H,10H2,1-9H3.
What are the key properties of CID 174023475?
CID 174023475 has a molecular weight of 250.23 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174023475 is sourced from PubChem (CID 174023475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).