(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal

C10H16O2 — CID 90477447

IUPAC(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
SMILESC=C[C@]1(C)CCC([C@H](C)C=O)O1
InChIInChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9?,10-/m1/s1
InChIKeyYPZQHCLBLRWNMJ-RCAUJQPQSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal

(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal (PubChem CID 90477447) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal.

Molecular Properties

Compound Name(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
PubChem CID90477447
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
SMILESC=C[C@]1(C)CCC([C@H](C)C=O)O1
InChIInChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9?,10-/m1/s1
InChIKeyYPZQHCLBLRWNMJ-RCAUJQPQSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
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

(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-one
CID 529919
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
(2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-one
CID 102441802
2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
CID 44566293
(3S)-3-[(1S)-1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-6,6-dimethyl-1,2-dioxin-3-ol
CID 163035197
(4Z)-2-(5-ethenyl-5-methyloxolan-2-yl)-5-hydroxy-6-methylhepta-4,6-dien-3-one
CID 91727820
(E,2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
CID 163189246
2-(5-ethenyl-5-methyloxolan-2-yl)-6-hydroperoxy-6-methylhept-4-en-3-one
CID 78410102
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
1,3-bis[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-one
CID 54545713

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal?
The IUPAC name of (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal (CID 90477447) is (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal.
What is the SMILES notation for (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal?
The canonical SMILES for (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal is C=C[C@]1(C)CCC([C@H](C)C=O)O1.
What is the InChIKey of (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal?
The InChIKey is YPZQHCLBLRWNMJ-RCAUJQPQSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9?,10-/m1/s1.
What are the key properties of (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal?
(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal is sourced from PubChem (CID 90477447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).