2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde

C10H18O3 — CID 19005242

IUPAC2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde
SMILESCC(C)CC1OC(C)(C)OC1C=O
InChIInChI=1S/C10H18O3/c1-7(2)5-8-9(6-11)13-10(3,4)12-8/h6-9H,5H2,1-4H3
InChIKeySWELLWAVTWZHOO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds3

About 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde

2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde (PubChem CID 19005242) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde
PubChem CID19005242
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde
SMILESCC(C)CC1OC(C)(C)OC1C=O
InChIInChI=1S/C10H18O3/c1-7(2)5-8-9(6-11)13-10(3,4)12-8/h6-9H,5H2,1-4H3
InChIKeySWELLWAVTWZHOO-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
CID 12641462
1-[(4R,5R)-2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 12990201
2-(2-Propyl-1,3-dioxolan-2-yl)butanal
CID 13432065
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11819477
2,2-Dimethyl-5-propyl-1,3-dioxolane-4-carbaldehyde
CID 12245834
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylpropan-1-one
CID 21659283
(4S,5R)-2,2-Dimethyl-4-isobutyl-5-formyl-1,3-dioxolane
CID 56999087
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 57070561
2,2-Dimethyl-4-propyl-1,3-dioxolane-4-carbaldehyde
CID 57149180
(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolane-4-carbaldehyde
CID 58304388
(5S)-2,2-dimethyl-5-propyl-1,3-dioxolane-4-carbaldehyde
CID 58304599
(4S)-2,2-dimethyl-5-propyl-1,3-dioxolane-4-carbaldehyde
CID 58305161

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde (CID 19005242) is 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde is CC(C)CC1OC(C)(C)OC1C=O.
What is the InChIKey of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde?
The InChIKey is SWELLWAVTWZHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)5-8-9(6-11)13-10(3,4)12-8/h6-9H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde?
2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 19005242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).