methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine

C16H35NO3 — CID 142954655

IUPACmethanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine
SMILESC1COC(CN2CCCC2)C1.CCCC(C)(C)O.CO
InChIInChI=1S/C9H17NO.C6H14O.CH4O/c1-2-6-10(5-1)8-9-4-3-7-11-9;1-4-5-6(2,3)7;1-2/h9H,1-8H2;7H,4-5H2,1-3H3;2H,1H3
InChIKeyZFENVXLCCQSDKS-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.43
Rot. Bonds4

About methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine

methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine (PubChem CID 142954655) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Namemethanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine
PubChem CID142954655
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Namemethanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine
SMILESC1COC(CN2CCCC2)C1.CCCC(C)(C)O.CO
InChIInChI=1S/C9H17NO.C6H14O.CH4O/c1-2-6-10(5-1)8-9-4-3-7-11-9;1-4-5-6(2,3)7;1-2/h9H,1-8H2;7H,4-5H2,1-3H3;2H,1H3
InChIKeyZFENVXLCCQSDKS-UHFFFAOYSA-N
XLogP2.43
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine?
The IUPAC name of methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine (CID 142954655) is methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine is C1COC(CN2CCCC2)C1.CCCC(C)(C)O.CO.
What is the InChIKey of methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine?
The InChIKey is ZFENVXLCCQSDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C6H14O.CH4O/c1-2-6-10(5-1)8-9-4-3-7-11-9;1-4-5-6(2,3)7;1-2/h9H,1-8H2;7H,4-5H2,1-3H3;2H,1H3.
What are the key properties of methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine?
methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine has a molecular weight of 289.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpentan-2-ol;1-(oxolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 142954655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).