CID 168987275

C11H20BO2 — CID 168987275

IUPAC—
SMILESCC.CC1(C)C2CC3O[B]OC3C1C2
InChIInChI=1S/C9H14BO2.C2H6/c1-9(2)5-3-6(9)8-7(4-5)11-10-12-8;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyAWZWGODRUYKKPN-UHFFFAOYSA-N
MW195.09 g/mol
LogP2.40
Rot. Bonds

About CID 168987275

CID 168987275 (PubChem CID 168987275) has the molecular formula C11H20BO2 and a molecular weight of 195.09 g/mol.

Molecular Properties

Compound NameCID 168987275
PubChem CID168987275
Molecular FormulaC11H20BO2
Molecular Weight195.09 g/mol
Exact Mass195.16
IUPAC Name—
SMILESCC.CC1(C)C2CC3O[B]OC3C1C2
InChIInChI=1S/C9H14BO2.C2H6/c1-9(2)5-3-6(9)8-7(4-5)11-10-12-8;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyAWZWGODRUYKKPN-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 168987275 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 70268544
CID 70268544
(1S,2S,6R)-4,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 90361912
9,9-dimethyl-4-propan-2-yl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 140821917
CID 134854947
CID 134854947
1-[(2S,6R)-9,9-dimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propan-1-amine;hydrochloride
CID 159519942
(1R)-1-[(1S,8S)-9,9-dimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3-methylbutan-1-amine
CID 118997138
(1R)-1-[(1S,2S,6R,8S)-9,9-dimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3-methylbutan-1-amine
CID 70322543
(1R,2S,6R,8R)-6,9,9-trimethyl-4-[(1S,2S,6R,8S)-6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 11199126
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
(2R)-1-[(1S,2S)-9,9-dimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-4-methylpentan-2-amine
CID 123993750

Frequently Asked Questions

What is the IUPAC name of CID 168987275?
The IUPAC name of CID 168987275 (CID 168987275) is not available.
What is the SMILES notation for CID 168987275?
The canonical SMILES for CID 168987275 is CC.CC1(C)C2CC3O[B]OC3C1C2.
What is the InChIKey of CID 168987275?
The InChIKey is AWZWGODRUYKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BO2.C2H6/c1-9(2)5-3-6(9)8-7(4-5)11-10-12-8;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of CID 168987275?
CID 168987275 has a molecular weight of 195.09 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168987275 is sourced from PubChem (CID 168987275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).