methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

C14H28B2O3 — CID 91563454

IUPACmethoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
SMILESCB1OC2CC3CC(C3(C)C)C2(C)O1.COB(C)C
InChIInChI=1S/C11H19BO2.C3H9BO/c1-10(2)7-5-8(10)11(3)9(6-7)13-12(4)14-11;1-4(2)5-3/h7-9H,5-6H2,1-4H3;1-3H3
InChIKeyDRUSNTQUNHWSDB-UHFFFAOYSA-N
MW266.00 g/mol
LogP3.23
Rot. Bonds1

About methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane (PubChem CID 91563454) has the molecular formula C14H28B2O3 and a molecular weight of 266.00 g/mol. Its IUPAC name is methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane.

Molecular Properties

Compound Namemethoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
PubChem CID91563454
Molecular FormulaC14H28B2O3
Molecular Weight266.00 g/mol
Exact Mass266.22
IUPAC Namemethoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
SMILESCB1OC2CC3CC(C3(C)C)C2(C)O1.COB(C)C
InChIInChI=1S/C11H19BO2.C3H9BO/c1-10(2)7-5-8(10)11(3)9(6-7)13-12(4)14-11;1-4(2)5-3/h7-9H,5-6H2,1-4H3;1-3H3
InChIKeyDRUSNTQUNHWSDB-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.00
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane with MolForge

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Related Compounds

(1S,2S,6R,8R)-2,9,9-trimethyl-4-[(1S,2S,6R,8R)-2,9,9-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 154825387
4-tert-butyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 123353253
(1R,2R,6S,8R)-2,9,9-trimethyl-4-propan-2-yloxy-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 155904369
(2S,6R)-4-ethenyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 12842231
4-ethenyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 12842229
[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methanediamine
CID 149128780
(1S)-2-methyl-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propan-1-amine
CID 59041462
(1R,2R)-2-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine
CID 91667149
(1R)-2-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propan-1-amine;hydrochloride
CID 56972088
(1S,2S,8S)-4-(3-chloropropyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 134978967
(2S,6R)-4-(5-bromopentyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 145107297
(1S,2S,6R,8S)-4-hexyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 11357526

Frequently Asked Questions

What is the IUPAC name of methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?
The IUPAC name of methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane (CID 91563454) is methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane.
What is the SMILES notation for methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?
The canonical SMILES for methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane is CB1OC2CC3CC(C3(C)C)C2(C)O1.COB(C)C.
What is the InChIKey of methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?
The InChIKey is DRUSNTQUNHWSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO2.C3H9BO/c1-10(2)7-5-8(10)11(3)9(6-7)13-12(4)14-11;1-4(2)5-3/h7-9H,5-6H2,1-4H3;1-3H3.
What are the key properties of methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane?
methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane has a molecular weight of 266.00 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(dimethyl)borane;2,4,9,9-tetramethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane is sourced from PubChem (CID 91563454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).