ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine

C12H23NO2 — CID 156719696

IUPACethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine
SMILESCC.COCC#CCN1CC(COC)C1
InChIInChI=1S/C10H17NO2.C2H6/c1-12-6-4-3-5-11-7-10(8-11)9-13-2;1-2/h10H,5-9H2,1-2H3;1-2H3
InChIKeyVDCWGNKTWWUZSH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.24
Rot. Bonds4

About ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine

ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine (PubChem CID 156719696) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine.

Molecular Properties

Compound Nameethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine
PubChem CID156719696
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine
SMILESCC.COCC#CCN1CC(COC)C1
InChIInChI=1S/C10H17NO2.C2H6/c1-12-6-4-3-5-11-7-10(8-11)9-13-2;1-2/h10H,5-9H2,1-2H3;1-2H3
InChIKeyVDCWGNKTWWUZSH-UHFFFAOYSA-N
XLogP1.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-ynyl-3-(methoxymethyl)azetidine
CID 153398551
1-(4-methoxybut-2-ynyl)piperazine
CID 117269600
1-bromo-4-methoxybut-2-yne
CID 14293557
2-[3-(methoxymethyl)azetidin-1-yl]ethyl hypoiodite
CID 137445395
3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 174183888
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
3-(methoxymethyl)azetidine-1-sulfonamide
CID 167526411
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine
CID 142385858
ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 144977158

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine?
The IUPAC name of ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine (CID 156719696) is ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine.
What is the SMILES notation for ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine?
The canonical SMILES for ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine is CC.COCC#CCN1CC(COC)C1.
What is the InChIKey of ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine?
The InChIKey is VDCWGNKTWWUZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6/c1-12-6-4-3-5-11-7-10(8-11)9-13-2;1-2/h10H,5-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine?
ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine has a molecular weight of 213.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxybut-2-ynyl)-3-(methoxymethyl)azetidine is sourced from PubChem (CID 156719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).