2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde

C8H14O2 — CID 153447612

IUPAC2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde
SMILESC=C(C)C[C@H](C)OCC=O
InChIInChI=1S/C8H14O2/c1-7(2)6-8(3)10-5-4-9/h4,8H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyUHKXPSCPGVMWHG-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds5

About 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde

2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde (PubChem CID 153447612) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde
PubChem CID153447612
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde
SMILESC=C(C)C[C@H](C)OCC=O
InChIInChI=1S/C8H14O2/c1-7(2)6-8(3)10-5-4-9/h4,8H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyUHKXPSCPGVMWHG-QMMMGPOBSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
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

2-(3-Methylbut-3-enoxy)acetaldehyde
CID 14982331
2-(2,4-Dimethylpent-4-en-2-yloxy)acetaldehyde
CID 14982332
4-Ethoxy-2-methylpent-1-en-3-one
CID 22267002
2-Methoxy-4-methylpent-4-enal
CID 15128224
(2R)-2-methoxy-4-methylpent-4-enal
CID 44220751
2-(3-Methylbut-3-enoxy)pentan-3-one
CID 114470306
1-(3-Methylbut-3-enoxy)propan-2-one
CID 114470346

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde?
The IUPAC name of 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde (CID 153447612) is 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde is C=C(C)C[C@H](C)OCC=O.
What is the InChIKey of 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde?
The InChIKey is UHKXPSCPGVMWHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)6-8(3)10-5-4-9/h4,8H,1,5-6H2,2-3H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde?
2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde is sourced from PubChem (CID 153447612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).