2-methyloxolane;trimethyl borate

C8H19BO4 — CID 174059312

IUPAC2-methyloxolane;trimethyl borate
SMILESCC1CCCO1.COB(OC)OC
InChIInChI=1S/C5H10O.C3H9BO3/c1-5-3-2-4-6-5;1-5-4(6-2)7-3/h5H,2-4H2,1H3;1-3H3
InChIKeyBNMNZIGHROKZFB-UHFFFAOYSA-N
MW190.05 g/mol
LogP1.10
Rot. Bonds3

About 2-methyloxolane;trimethyl borate

2-methyloxolane;trimethyl borate (PubChem CID 174059312) has the molecular formula C8H19BO4 and a molecular weight of 190.05 g/mol. Its IUPAC name is 2-methyloxolane;trimethyl borate.

Molecular Properties

Compound Name2-methyloxolane;trimethyl borate
PubChem CID174059312
Molecular FormulaC8H19BO4
Molecular Weight190.05 g/mol
Exact Mass190.14
IUPAC Name2-methyloxolane;trimethyl borate
SMILESCC1CCCO1.COB(OC)OC
InChIInChI=1S/C5H10O.C3H9BO3/c1-5-3-2-4-6-5;1-5-4(6-2)7-3/h5H,2-4H2,1H3;1-3H3
InChIKeyBNMNZIGHROKZFB-UHFFFAOYSA-N
XLogP1.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-methylpropane;2-methyloxolane
CID 67153137
ethane;formaldehyde;2-methyloxolane
CID 145378358
2-methyloxolane;oxolane
CID 69253648
2-methyloxane;hydrochloride
CID 141105834
2-methoxyethanol;2-methyloxolane
CID 90184729
2-methyloxane;propane
CID 171074580
2-methyloxolane;1-methylpiperidine
CID 164525198
diethyl carbonate;2-methyloxolane
CID 174662331
2-methyloxolane;toluene
CID 66810937
methyl benzenesulfonate;2-methyloxolane
CID 174653753
2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)
CID 158124225
but-1-yne;methane;2-methyloxane;2-methyloxolane
CID 158895441

Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane;trimethyl borate?
The IUPAC name of 2-methyloxolane;trimethyl borate (CID 174059312) is 2-methyloxolane;trimethyl borate.
What is the SMILES notation for 2-methyloxolane;trimethyl borate?
The canonical SMILES for 2-methyloxolane;trimethyl borate is CC1CCCO1.COB(OC)OC.
What is the InChIKey of 2-methyloxolane;trimethyl borate?
The InChIKey is BNMNZIGHROKZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H9BO3/c1-5-3-2-4-6-5;1-5-4(6-2)7-3/h5H,2-4H2,1H3;1-3H3.
What are the key properties of 2-methyloxolane;trimethyl borate?
2-methyloxolane;trimethyl borate has a molecular weight of 190.05 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane;trimethyl borate is sourced from PubChem (CID 174059312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).