(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one

C20H30O3 — CID 59900907

IUPAC(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one
SMILESCCCCCCCCOc1ccc(C2C[C@@H](CC)OC2=O)cc1
InChIInChI=1S/C20H30O3/c1-3-5-6-7-8-9-14-22-18-12-10-16(11-13-18)19-15-17(4-2)23-20(19)21/h10-13,17,19H,3-9,14-15H2,1-2H3/t17-,19?/m1/s1
InChIKeyZRVSZALVPGKBHY-DUSLRRAJSA-N
MW318.46 g/mol
LogP5.24
Rot. Bonds10

About (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one

(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one (PubChem CID 59900907) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one
PubChem CID59900907
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one
SMILESCCCCCCCCOc1ccc(C2C[C@@H](CC)OC2=O)cc1
InChIInChI=1S/C20H30O3/c1-3-5-6-7-8-9-14-22-18-12-10-16(11-13-18)19-15-17(4-2)23-20(19)21/h10-13,17,19H,3-9,14-15H2,1-2H3/t17-,19?/m1/s1
InChIKeyZRVSZALVPGKBHY-DUSLRRAJSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3S,5R)-5-hexyl-2-oxooxolan-3-yl]phenyl] 4-octoxybenzoate
CID 15653395
[4-[(3S,5S)-5-hexyl-2-oxooxolan-3-yl]phenyl] 4-octoxybenzoate
CID 100993576
3-butyl-5-[4-(4-heptoxyphenyl)phenyl]oxolan-2-one
CID 19786135
(3R,5S)-5-butyl-3-(4-hydroxyphenyl)oxolan-2-one
CID 139603112
(3R)-3-(4-heptoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 98117431
5-(4-butoxyphenyl)-3-pentyloxolan-2-one
CID 19786112
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
5-ethyl-2-[4-(4-hexoxyphenyl)phenyl]cyclohexan-1-one
CID 23041220
5-[4-(4-butoxyphenyl)phenyl]-3-hexyloxolan-2-one
CID 19786108

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one?
The IUPAC name of (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one (CID 59900907) is (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one?
The canonical SMILES for (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one is CCCCCCCCOc1ccc(C2C[C@@H](CC)OC2=O)cc1.
What is the InChIKey of (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one?
The InChIKey is ZRVSZALVPGKBHY-DUSLRRAJSA-N. The full InChI is InChI=1S/C20H30O3/c1-3-5-6-7-8-9-14-22-18-12-10-16(11-13-18)19-15-17(4-2)23-20(19)21/h10-13,17,19H,3-9,14-15H2,1-2H3/t17-,19?/m1/s1.
What are the key properties of (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one?
(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one has a molecular weight of 318.46 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one is sourced from PubChem (CID 59900907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).