2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde

C14H24O3 — CID 59715034

IUPAC2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde
SMILESCC1(C)OCC(C2(CC=O)CCCCC2)CO1
InChIInChI=1S/C14H24O3/c1-13(2)16-10-12(11-17-13)14(8-9-15)6-4-3-5-7-14/h9,12H,3-8,10-11H2,1-2H3
InChIKeyFAGNVJYOZKROLM-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde

2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde (PubChem CID 59715034) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde
PubChem CID59715034
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde
SMILESCC1(C)OCC(C2(CC=O)CCCCC2)CO1
InChIInChI=1S/C14H24O3/c1-13(2)16-10-12(11-17-13)14(8-9-15)6-4-3-5-7-14/h9,12H,3-8,10-11H2,1-2H3
InChIKeyFAGNVJYOZKROLM-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde?
The IUPAC name of 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde (CID 59715034) is 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde is CC1(C)OCC(C2(CC=O)CCCCC2)CO1.
What is the InChIKey of 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde?
The InChIKey is FAGNVJYOZKROLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(2)16-10-12(11-17-13)14(8-9-15)6-4-3-5-7-14/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde?
2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde has a molecular weight of 240.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde is sourced from PubChem (CID 59715034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).