3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal

C10H16O2 — CID 90324109

IUPAC3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal
SMILESC=C1C[C@H](CCC=O)O[C@H]1CC
InChIInChI=1S/C10H16O2/c1-3-10-8(2)7-9(12-10)5-4-6-11/h6,9-10H,2-5,7H2,1H3/t9-,10-/m0/s1
InChIKeyOUOAOHHHWICPGX-UWVGGRQHSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal

3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal (PubChem CID 90324109) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal.

Molecular Properties

Compound Name3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal
PubChem CID90324109
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal
SMILESC=C1C[C@H](CCC=O)O[C@H]1CC
InChIInChI=1S/C10H16O2/c1-3-10-8(2)7-9(12-10)5-4-6-11/h6,9-10H,2-5,7H2,1H3/t9-,10-/m0/s1
InChIKeyOUOAOHHHWICPGX-UWVGGRQHSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-3-methylideneoxolan-2-one
CID 10820778
3-Methylidene-5-tridecyloxolan-2-one
CID 118708706
2(3H)-Furanone, dihydro-3-methylene-5-pentyl-
CID 10583238
3-Methylidene-5-undecyloxolan-2-one
CID 44265392
2(3H)-Furanone, 5-hexyldihydro-3-methylene-
CID 10856134
5-Dodecyl-3-methylideneoxolan-2-one
CID 134865716
3-Methylidene-5-octyloxolan-2-one
CID 13466844
3-[(2S,5S)-4-methylidene-5-(3-oxopropyl)oxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 71603458
Ethyl 2-(oxolan-2-ylmethyl)prop-2-enoate
CID 101945991
(5R)-5-hexyl-3-methylideneoxolan-2-one
CID 12377496
(5S)-3-methylidene-5-octyloxolan-2-one
CID 13466845
3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal
CID 42604197

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal?
The IUPAC name of 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal (CID 90324109) is 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal.
What is the SMILES notation for 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal?
The canonical SMILES for 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal is C=C1C[C@H](CCC=O)O[C@H]1CC.
What is the InChIKey of 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal?
The InChIKey is OUOAOHHHWICPGX-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10-8(2)7-9(12-10)5-4-6-11/h6,9-10H,2-5,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal?
3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal is sourced from PubChem (CID 90324109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).