CID 174086504

C9H17BO — CID 174086504

IUPAC—
SMILES[B]C1(C(C)(C)C)CCOCC1
InChIInChI=1S/C9H17BO/c1-8(2,3)9(10)4-6-11-7-5-9/h4-7H2,1-3H3
InChIKeyLSLGLSYHPPEUFY-UHFFFAOYSA-N
MW152.05 g/mol
LogP2.17
Rot. Bonds

About CID 174086504

CID 174086504 (PubChem CID 174086504) has the molecular formula C9H17BO and a molecular weight of 152.05 g/mol.

Molecular Properties

Compound NameCID 174086504
PubChem CID174086504
Molecular FormulaC9H17BO
Molecular Weight152.05 g/mol
Exact Mass152.14
IUPAC Name—
SMILES[B]C1(C(C)(C)C)CCOCC1
InChIInChI=1S/C9H17BO/c1-8(2,3)9(10)4-6-11-7-5-9/h4-7H2,1-3H3
InChIKeyLSLGLSYHPPEUFY-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.05
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-aminooxan-4-yl)propan-2-ol
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1,2-dimethyl-6-oxaspiro[2.5]octane
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1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
CID 157115340
14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid
CID 23297351
4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
CID 174263036
(3-tert-butyloxolan-3-yl)methanamine
CID 83815554
1,4-dioxane;1,1,1-trichloroethane
CID 159962083
4,4-diiodooxane
CID 138563806
ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
4-(2-fluoropropan-2-yl)oxane-4-carbaldehyde
CID 84766671
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278

Frequently Asked Questions

What is the IUPAC name of CID 174086504?
The IUPAC name of CID 174086504 (CID 174086504) is not available.
What is the SMILES notation for CID 174086504?
The canonical SMILES for CID 174086504 is [B]C1(C(C)(C)C)CCOCC1.
What is the InChIKey of CID 174086504?
The InChIKey is LSLGLSYHPPEUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO/c1-8(2,3)9(10)4-6-11-7-5-9/h4-7H2,1-3H3.
What are the key properties of CID 174086504?
CID 174086504 has a molecular weight of 152.05 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174086504 is sourced from PubChem (CID 174086504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).