CID 174147638

C13H23BO — CID 174147638

IUPAC—
SMILES[B]C(C)(O)C1CC2CCCCC1C(C)C2
InChIInChI=1S/C13H23BO/c1-9-7-10-5-3-4-6-11(9)12(8-10)13(2,14)15/h9-12,15H,3-8H2,1-2H3
InChIKeyHIEHFYWMEGKJTE-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.72
Rot. Bonds1

About CID 174147638

CID 174147638 (PubChem CID 174147638) has the molecular formula C13H23BO and a molecular weight of 206.14 g/mol.

Molecular Properties

Compound NameCID 174147638
PubChem CID174147638
Molecular FormulaC13H23BO
Molecular Weight206.14 g/mol
Exact Mass206.18
IUPAC Name—
SMILES[B]C(C)(O)C1CC2CCCCC1C(C)C2
InChIInChI=1S/C13H23BO/c1-9-7-10-5-3-4-6-11(9)12(8-10)13(2,14)15/h9-12,15H,3-8H2,1-2H3
InChIKeyHIEHFYWMEGKJTE-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174147780
CID 174147780
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
6-methylbicyclo[2.2.2]octan-2-ol
CID 5158952
(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol
CID 130977977
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
CID 167340222
2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
CID 70031928
(2-methylcyclopropyl)cyclooctane
CID 19768877
methylcyclohexane;2-methylpropan-2-ol
CID 174648681
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91052446
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792

Frequently Asked Questions

What is the IUPAC name of CID 174147638?
The IUPAC name of CID 174147638 (CID 174147638) is not available.
What is the SMILES notation for CID 174147638?
The canonical SMILES for CID 174147638 is [B]C(C)(O)C1CC2CCCCC1C(C)C2.
What is the InChIKey of CID 174147638?
The InChIKey is HIEHFYWMEGKJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO/c1-9-7-10-5-3-4-6-11(9)12(8-10)13(2,14)15/h9-12,15H,3-8H2,1-2H3.
What are the key properties of CID 174147638?
CID 174147638 has a molecular weight of 206.14 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174147638 is sourced from PubChem (CID 174147638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).