(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one

C16H16O3 — CID 100965743

IUPAC(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one
SMILESCC[C@@H]1C[C@@H](Oc2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C16H16O3/c1-2-11-10-15(19-16(11)17)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15H,2,10H2,1H3/t11-,15+/m1/s1
InChIKeyNYUTVOHYDVXKAO-ABAIWWIYSA-N
MW256.30 g/mol
LogP3.52
Rot. Bonds3

About (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one

(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one (PubChem CID 100965743) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one
PubChem CID100965743
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one
SMILESCC[C@@H]1C[C@@H](Oc2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C16H16O3/c1-2-11-10-15(19-16(11)17)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15H,2,10H2,1H3/t11-,15+/m1/s1
InChIKeyNYUTVOHYDVXKAO-ABAIWWIYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene
CID 66345277
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
CID 107942742
2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
CID 107942743
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
3-acetyl-5-phenoxyoxolan-2-one
CID 134975629
2-ethoxynaphthalene
CID 118978197
(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one
CID 161446096
2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene
CID 153279846
(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane
CID 177454375
2-ethyl-1,2-dihydrocyclobuta[b]naphthalene
CID 158617170
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
CID 66358347

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one?
The IUPAC name of (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one (CID 100965743) is (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one.
What is the SMILES notation for (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one?
The canonical SMILES for (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one is CC[C@@H]1C[C@@H](Oc2ccc3ccccc3c2)OC1=O.
What is the InChIKey of (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one?
The InChIKey is NYUTVOHYDVXKAO-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-11-10-15(19-16(11)17)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15H,2,10H2,1H3/t11-,15+/m1/s1.
What are the key properties of (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one?
(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one has a molecular weight of 256.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one is sourced from PubChem (CID 100965743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).