(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine

C11H21NO2 — CID 90727869

IUPAC(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
SMILESC=CC[C@](C)(OC)[C@H]1COC(C)(C)N1
InChIInChI=1S/C11H21NO2/c1-6-7-11(4,13-5)9-8-14-10(2,3)12-9/h6,9,12H,1,7-8H2,2-5H3/t9-,11+/m1/s1
InChIKeyNCJDQRLDHOJNCX-KOLCDFICSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds4

About (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine

(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine (PubChem CID 90727869) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
PubChem CID90727869
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
SMILESC=CC[C@](C)(OC)[C@H]1COC(C)(C)N1
InChIInChI=1S/C11H21NO2/c1-6-7-11(4,13-5)9-8-14-10(2,3)12-9/h6,9,12H,1,7-8H2,2-5H3/t9-,11+/m1/s1
InChIKeyNCJDQRLDHOJNCX-KOLCDFICSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]pent-4-en-2-ol
CID 90946142
2-(2,2-Dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol
CID 141048112
N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 103904981
N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine
CID 104583482
N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine
CID 104705800
1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine
CID 116764621
N-ethyl-1-(4-methoxyoxan-4-yl)prop-2-en-1-amine
CID 116764890
1-(4-methoxyoxan-4-yl)-N-propylprop-2-en-1-amine
CID 116765120
1-(4-ethoxyoxan-4-yl)-N-methylprop-2-en-1-amine
CID 116765585
1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine
CID 116765806
1-(4-ethoxyoxan-4-yl)-N-propylprop-2-en-1-amine
CID 116765973
4-But-3-enyl-2,2-dimethyl-1,3-oxazolidine
CID 129995489

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine (CID 90727869) is (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine is C=CC[C@](C)(OC)[C@H]1COC(C)(C)N1.
What is the InChIKey of (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is NCJDQRLDHOJNCX-KOLCDFICSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-11(4,13-5)9-8-14-10(2,3)12-9/h6,9,12H,1,7-8H2,2-5H3/t9-,11+/m1/s1.
What are the key properties of (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine?
(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 199.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 90727869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).