5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde

C12H20O3 — CID 130624291

IUPAC5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde
SMILESCOC1(C2CCC(C=O)O2)CCCCC1
InChIInChI=1S/C12H20O3/c1-14-12(7-3-2-4-8-12)11-6-5-10(9-13)15-11/h9-11H,2-8H2,1H3
InChIKeyMTIRVYDKPUJQKY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.08
Rot. Bonds3

About 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde

5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde (PubChem CID 130624291) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde
PubChem CID130624291
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde
SMILESCOC1(C2CCC(C=O)O2)CCCCC1
InChIInChI=1S/C12H20O3/c1-14-12(7-3-2-4-8-12)11-6-5-10(9-13)15-11/h9-11H,2-8H2,1H3
InChIKeyMTIRVYDKPUJQKY-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.08
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 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde?
The IUPAC name of 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde (CID 130624291) is 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde.
What is the SMILES notation for 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde?
The canonical SMILES for 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde is COC1(C2CCC(C=O)O2)CCCCC1.
What is the InChIKey of 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde?
The InChIKey is MTIRVYDKPUJQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-14-12(7-3-2-4-8-12)11-6-5-10(9-13)15-11/h9-11H,2-8H2,1H3.
What are the key properties of 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde?
5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxycyclohexyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130624291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).