3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane

C12H22O3 — CID 143183270

IUPAC3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane
SMILESC=CC(O)(CC=O)C1CCCC1.COC
InChIInChI=1S/C10H16O2.C2H6O/c1-2-10(12,7-8-11)9-5-3-4-6-9;1-3-2/h2,8-9,12H,1,3-7H2;1-2H3
InChIKeyFYEIBCKNOVWEHU-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.95
Rot. Bonds4

About 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane

3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane (PubChem CID 143183270) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane.

Molecular Properties

Compound Name3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane
PubChem CID143183270
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane
SMILESC=CC(O)(CC=O)C1CCCC1.COC
InChIInChI=1S/C10H16O2.C2H6O/c1-2-10(12,7-8-11)9-5-3-4-6-9;1-3-2/h2,8-9,12H,1,3-7H2;1-2H3
InChIKeyFYEIBCKNOVWEHU-UHFFFAOYSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Ethenyl-7-hydroxydodecanal
CID 57148891
Cyclopentanepropanoic acid, beta-ethenyl-beta-hydroxy-, ethyl ester
CID 58764224
Methyl 3-cyclopentyl-3-hydroxypent-4-enoate
CID 58764239
6-Hydroxy-6-methyloct-7-enal
CID 11030067
3-Cyclopentyl-3-hydroxypent-4-enal
CID 143183271

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane?
The IUPAC name of 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane (CID 143183270) is 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane.
What is the SMILES notation for 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane?
The canonical SMILES for 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane is C=CC(O)(CC=O)C1CCCC1.COC.
What is the InChIKey of 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane?
The InChIKey is FYEIBCKNOVWEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H6O/c1-2-10(12,7-8-11)9-5-3-4-6-9;1-3-2/h2,8-9,12H,1,3-7H2;1-2H3.
What are the key properties of 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane?
3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane has a molecular weight of 214.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-hydroxypent-4-enal;methoxymethane is sourced from PubChem (CID 143183270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).