3,7-dimethyl-3-borabicyclo[3.3.1]nonane

C10H19B — CID 12603029

IUPAC3,7-dimethyl-3-borabicyclo[3.3.1]nonane
SMILESCB1CC2CC(C)CC(C1)C2
InChIInChI=1S/C10H19B/c1-8-3-9-5-10(4-8)7-11(2)6-9/h8-10H,3-7H2,1-2H3
InChIKeyDXPDDEZNMAEFGR-UHFFFAOYSA-N
MW150.07 g/mol
LogP3.18
Rot. Bonds

About 3,7-dimethyl-3-borabicyclo[3.3.1]nonane

3,7-dimethyl-3-borabicyclo[3.3.1]nonane (PubChem CID 12603029) has the molecular formula C10H19B and a molecular weight of 150.07 g/mol. Its IUPAC name is 3,7-dimethyl-3-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-dimethyl-3-borabicyclo[3.3.1]nonane
PubChem CID12603029
Molecular FormulaC10H19B
Molecular Weight150.07 g/mol
Exact Mass150.16
IUPAC Name3,7-dimethyl-3-borabicyclo[3.3.1]nonane
SMILESCB1CC2CC(C)CC(C1)C2
InChIInChI=1S/C10H19B/c1-8-3-9-5-10(4-8)7-11(2)6-9/h8-10H,3-7H2,1-2H3
InChIKeyDXPDDEZNMAEFGR-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-7-methyl-3-borabicyclo[3.3.1]nonane
CID 12589555
7-methylbicyclo[3.3.1]nonan-3-amine
CID 58358746
7-methylbicyclo[3.3.1]nonan-3-amine;hydrochloride
CID 67983743
(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane
CID 123586530
adamantane;ethane
CID 90892828
methane;1,2,4-trimethylcyclopentane
CID 157268000
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane
CID 143348770
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-borabicyclo[3.3.1]nonane?
The IUPAC name of 3,7-dimethyl-3-borabicyclo[3.3.1]nonane (CID 12603029) is 3,7-dimethyl-3-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-dimethyl-3-borabicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-dimethyl-3-borabicyclo[3.3.1]nonane is CB1CC2CC(C)CC(C1)C2.
What is the InChIKey of 3,7-dimethyl-3-borabicyclo[3.3.1]nonane?
The InChIKey is DXPDDEZNMAEFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19B/c1-8-3-9-5-10(4-8)7-11(2)6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3,7-dimethyl-3-borabicyclo[3.3.1]nonane?
3,7-dimethyl-3-borabicyclo[3.3.1]nonane has a molecular weight of 150.07 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 12603029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).