2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde

C10H16O3 — CID 143817918

IUPAC2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde
SMILESC=CCC1OC(C)(C)OC1CC=O
InChIInChI=1S/C10H16O3/c1-4-5-8-9(6-7-11)13-10(2,3)12-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyXFHPDLANDVRHBX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde

2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde (PubChem CID 143817918) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde
PubChem CID143817918
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde
SMILESC=CCC1OC(C)(C)OC1CC=O
InChIInChI=1S/C10H16O3/c1-4-5-8-9(6-7-11)13-10(2,3)12-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyXFHPDLANDVRHBX-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carbaldehyde
CID 24770450
(4S,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolane-4-carbaldehyde
CID 10922676
3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 17748150
4,5-(Dimethylmethylenedioxy)-3-methoxymethoxy-6-heptenal
CID 19010974
(4S,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carbaldehyde
CID 59482149
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
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
2,2-Dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carbaldehyde
CID 123665066
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enal
CID 163698494
2-[(4R,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
CID 11086315

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde?
The IUPAC name of 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde (CID 143817918) is 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde is C=CCC1OC(C)(C)OC1CC=O.
What is the InChIKey of 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde?
The InChIKey is XFHPDLANDVRHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-8-9(6-7-11)13-10(2,3)12-8/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde?
2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl)acetaldehyde is sourced from PubChem (CID 143817918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).