(2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane

C14H18O2 — CID 149200276

IUPAC(2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane
SMILESCC1C(OC[C@@H]2CO2)=CC=C2C=CCCC21
InChIInChI=1S/C14H18O2/c1-10-13-5-3-2-4-11(13)6-7-14(10)16-9-12-8-15-12/h2,4,6-7,10,12-13H,3,5,8-9H2,1H3/t10?,12-,13?/m0/s1
InChIKeyXEODBBUMUOZRKY-YDGIUTOCSA-N
MW218.30 g/mol
LogP2.83
Rot. Bonds3

About (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane

(2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane (PubChem CID 149200276) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane
PubChem CID149200276
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane
SMILESCC1C(OC[C@@H]2CO2)=CC=C2C=CCCC21
InChIInChI=1S/C14H18O2/c1-10-13-5-3-2-4-11(13)6-7-14(10)16-9-12-8-15-12/h2,4,6-7,10,12-13H,3,5,8-9H2,1H3/t10?,12-,13?/m0/s1
InChIKeyXEODBBUMUOZRKY-YDGIUTOCSA-N
XLogP2.83
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methylcyclohexa-1,5-dien-1-yl)oxymethyl]oxirane
CID 130280449
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
CID 58165314
(4S)-4-methyl-18-(oxiran-2-ylmethoxy)-16-phenylmethoxy-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
CID 71964119
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(6-octyl-5-propylidenecyclohexa-1,3-dien-1-yl)oxymethyl]oxirane
CID 174677377
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
2-[[4-[2-[3,5-diethyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]-2,6-diethylphenoxy]methyl]oxirane
CID 87442207
2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine
CID 90471145
2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane
CID 87199464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane?
The IUPAC name of (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane (CID 149200276) is (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane.
What is the SMILES notation for (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane?
The canonical SMILES for (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane is CC1C(OC[C@@H]2CO2)=CC=C2C=CCCC21.
What is the InChIKey of (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane?
The InChIKey is XEODBBUMUOZRKY-YDGIUTOCSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-13-5-3-2-4-11(13)6-7-14(10)16-9-12-8-15-12/h2,4,6-7,10,12-13H,3,5,8-9H2,1H3/t10?,12-,13?/m0/s1.
What are the key properties of (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane?
(2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane has a molecular weight of 218.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)oxymethyl]oxirane is sourced from PubChem (CID 149200276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).