CID 89270907

C9H17BO — CID 89270907

IUPAC—
SMILES[B]C(CC)(CCC)C(=O)CC
InChIInChI=1S/C9H17BO/c1-4-7-9(10,6-3)8(11)5-2/h4-7H2,1-3H3
InChIKeyDUDVVOYGRDYXBI-UHFFFAOYSA-N
MW152.05 g/mol
LogP2.50
Rot. Bonds5

About CID 89270907

CID 89270907 (PubChem CID 89270907) has the molecular formula C9H17BO and a molecular weight of 152.05 g/mol.

Molecular Properties

Compound NameCID 89270907
PubChem CID89270907
Molecular FormulaC9H17BO
Molecular Weight152.05 g/mol
Exact Mass152.14
IUPAC Name—
SMILES[B]C(CC)(CCC)C(=O)CC
InChIInChI=1S/C9H17BO/c1-4-7-9(10,6-3)8(11)5-2/h4-7H2,1-3H3
InChIKeyDUDVVOYGRDYXBI-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.05
LogP ≤ 52.50
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

3-oxo-2,2-dipropylpentanoic acid
CID 175535849
4-hydroxy-4-propylheptan-3-one
CID 4046813
2-ethyl-2-propanoylpropanedioic acid
CID 175438827
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
CID 22153533
magnesium;2,2-dipropylpropanedioic acid;hydride
CID 174967790
1,1,1-tribromobutan-2-one
CID 5323804
4-amino-4-methyloctan-3-one
CID 158308473
2-bromo-2-(3-methylhexan-3-yl)propanedioic acid
CID 150015751
3-formylhexan-3-yl propanoate
CID 173378364
5,5-dichlorooctan-4-one
CID 10987199
2-hydroxy-2-iodopentanoic acid
CID 23071156

Frequently Asked Questions

What is the IUPAC name of CID 89270907?
The IUPAC name of CID 89270907 (CID 89270907) is not available.
What is the SMILES notation for CID 89270907?
The canonical SMILES for CID 89270907 is [B]C(CC)(CCC)C(=O)CC.
What is the InChIKey of CID 89270907?
The InChIKey is DUDVVOYGRDYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO/c1-4-7-9(10,6-3)8(11)5-2/h4-7H2,1-3H3.
What are the key properties of CID 89270907?
CID 89270907 has a molecular weight of 152.05 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89270907 is sourced from PubChem (CID 89270907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).