3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde

C12H20O3 — CID 130632300

IUPAC3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CC2(O)CCCCC2)CCOC1
InChIInChI=1S/C12H20O3/c13-9-11(6-7-15-10-11)8-12(14)4-2-1-3-5-12/h9,14H,1-8,10H2
InChIKeyUAKVRHNUDIZBAR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.68
Rot. Bonds3

About 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde

3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde (PubChem CID 130632300) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde
PubChem CID130632300
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CC2(O)CCCCC2)CCOC1
InChIInChI=1S/C12H20O3/c13-9-11(6-7-15-10-11)8-12(14)4-2-1-3-5-12/h9,14H,1-8,10H2
InChIKeyUAKVRHNUDIZBAR-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
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 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde (CID 130632300) is 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde is O=CC1(CC2(O)CCCCC2)CCOC1.
What is the InChIKey of 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde?
The InChIKey is UAKVRHNUDIZBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-9-11(6-7-15-10-11)8-12(14)4-2-1-3-5-12/h9,14H,1-8,10H2.
What are the key properties of 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde?
3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclohexyl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 130632300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).