[3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol

C20H36O6 — CID 67933044

IUPAC[3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol
SMILESCCOC(OC)OC1CCC(CO)C1CC=CCCOC1CCCCO1
InChIInChI=1S/C20H36O6/c1-3-23-20(22-2)26-18-12-11-16(15-21)17(18)9-5-4-7-13-24-19-10-6-8-14-25-19/h4-5,16-21H,3,6-15H2,1-2H3
InChIKeyCIMCILLFTPIAIV-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.24
Rot. Bonds12

About [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol

[3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol (PubChem CID 67933044) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol
PubChem CID67933044
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name[3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol
SMILESCCOC(OC)OC1CCC(CO)C1CC=CCCOC1CCCCO1
InChIInChI=1S/C20H36O6/c1-3-23-20(22-2)26-18-12-11-16(15-21)17(18)9-5-4-7-13-24-19-10-6-8-14-25-19/h4-5,16-21H,3,6-15H2,1-2H3
InChIKeyCIMCILLFTPIAIV-UHFFFAOYSA-N
XLogP3.24
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol?
The IUPAC name of [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol (CID 67933044) is [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol.
What is the SMILES notation for [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol?
The canonical SMILES for [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol is CCOC(OC)OC1CCC(CO)C1CC=CCCOC1CCCCO1.
What is the InChIKey of [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol?
The InChIKey is CIMCILLFTPIAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-3-23-20(22-2)26-18-12-11-16(15-21)17(18)9-5-4-7-13-24-19-10-6-8-14-25-19/h4-5,16-21H,3,6-15H2,1-2H3.
What are the key properties of [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol?
[3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol has a molecular weight of 372.50 g/mol, XLogP of 3.24, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethoxy(methoxy)methoxy]-2-[5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]methanol is sourced from PubChem (CID 67933044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).