2,2,5,5-tetramethyloxolane-3-carbaldehyde

C9H16O2 — CID 79934388

IUPAC2,2,5,5-tetramethyloxolane-3-carbaldehyde
SMILESCC1(C)CC(C=O)C(C)(C)O1
InChIInChI=1S/C9H16O2/c1-8(2)5-7(6-10)9(3,4)11-8/h6-7H,5H2,1-4H3
InChIKeySFALKNXEQCYYEF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds1

About 2,2,5,5-tetramethyloxolane-3-carbaldehyde

2,2,5,5-tetramethyloxolane-3-carbaldehyde (PubChem CID 79934388) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2,5,5-tetramethyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name2,2,5,5-tetramethyloxolane-3-carbaldehyde
PubChem CID79934388
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,2,5,5-tetramethyloxolane-3-carbaldehyde
SMILESCC1(C)CC(C=O)C(C)(C)O1
InChIInChI=1S/C9H16O2/c1-8(2)5-7(6-10)9(3,4)11-8/h6-7H,5H2,1-4H3
InChIKeySFALKNXEQCYYEF-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methylpropyl)-4-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-amine
CID 114624391
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
CID 93496108
2-ethyl-2-methylcyclopropane-1-carbaldehyde
CID 54353190
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
S-(2,2,5,5-tetramethyloxolan-3-yl) ethanethioate
CID 130754662
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 79916589
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
3,5,5-trimethyloxolane-2-carbaldehyde
CID 20674729
N-methoxy-2,2,5,5-tetramethyloxolan-3-amine
CID 82707260
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyloxolane-3-carbaldehyde?
The IUPAC name of 2,2,5,5-tetramethyloxolane-3-carbaldehyde (CID 79934388) is 2,2,5,5-tetramethyloxolane-3-carbaldehyde.
What is the SMILES notation for 2,2,5,5-tetramethyloxolane-3-carbaldehyde?
The canonical SMILES for 2,2,5,5-tetramethyloxolane-3-carbaldehyde is CC1(C)CC(C=O)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyloxolane-3-carbaldehyde?
The InChIKey is SFALKNXEQCYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)5-7(6-10)9(3,4)11-8/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyloxolane-3-carbaldehyde?
2,2,5,5-tetramethyloxolane-3-carbaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyloxolane-3-carbaldehyde is sourced from PubChem (CID 79934388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).