2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde

C15H26O3 — CID 11086315

IUPAC2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCCCC/C=C\C[C@H]1OC(C)(C)O[C@@H]1CC=O
InChIInChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-13-14(11-12-16)18-15(2,3)17-13/h8-9,12-14H,4-7,10-11H2,1-3H3/b9-8-/t13-,14-/m1/s1
InChIKeyLLYKYHJUHWTFHX-GIBSZGAASA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds8

About 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde

2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 11086315) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID11086315
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCCCC/C=C\C[C@H]1OC(C)(C)O[C@@H]1CC=O
InChIInChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-13-14(11-12-16)18-15(2,3)17-13/h8-9,12-14H,4-7,10-11H2,1-3H3/b9-8-/t13-,14-/m1/s1
InChIKeyLLYKYHJUHWTFHX-GIBSZGAASA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S,5R)-5-[(E,2S,5S)-3-fluoro-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 58304617
(4S,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolane-4-carbaldehyde
CID 10922676
1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one
CID 21301804
2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]acetaldehyde
CID 60124814
2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 60124887
methyl (Z)-6-[(4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-4-enoate
CID 71519280
2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 88956833
2-[(4S,5R)-5-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89902084
(3E)-hexa-1,3-diene;2-(2-propyl-1,3-dioxolan-2-yl)acetaldehyde
CID 91439148
2-(2,2-Dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde
CID 143817918
(4S,5S)-2,2-dimethyl-5-[(Z)-pent-2-enyl]-1,3-dioxolane-4-carbaldehyde
CID 176680497
(4R,5S)-5-[(E)-dec-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 178179083

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde (CID 11086315) is 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde is CCCCC/C=C\C[C@H]1OC(C)(C)O[C@@H]1CC=O.
What is the InChIKey of 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is LLYKYHJUHWTFHX-GIBSZGAASA-N. The full InChI is InChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-13-14(11-12-16)18-15(2,3)17-13/h8-9,12-14H,4-7,10-11H2,1-3H3/b9-8-/t13-,14-/m1/s1.
What are the key properties of 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 254.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 11086315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).