[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol

C25H46O7 — CID 155137470

IUPAC[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
SMILESOCC1COC(COCC2COC(COC3CCCCCCCCCCCC3)CO2)CO1
InChIInChI=1S/C25H46O7/c26-13-22-16-30-23(17-29-22)14-27-15-24-18-32-25(20-31-24)19-28-21-11-9-7-5-3-1-2-4-6-8-10-12-21/h21-26H,1-20H2
InChIKeyBWOGBUPHUOTWDX-UHFFFAOYSA-N
MW458.64 g/mol
LogP3.64
Rot. Bonds8

About [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol

[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol (PubChem CID 155137470) has the molecular formula C25H46O7 and a molecular weight of 458.64 g/mol. Its IUPAC name is [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
PubChem CID155137470
Molecular FormulaC25H46O7
Molecular Weight458.64 g/mol
Exact Mass458.32
IUPAC Name[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
SMILESOCC1COC(COCC2COC(COC3CCCCCCCCCCCC3)CO2)CO1
InChIInChI=1S/C25H46O7/c26-13-22-16-30-23(17-29-22)14-27-15-24-18-32-25(20-31-24)19-28-21-11-9-7-5-3-1-2-4-6-8-10-12-21/h21-26H,1-20H2
InChIKeyBWOGBUPHUOTWDX-UHFFFAOYSA-N
XLogP3.64
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol?
The IUPAC name of [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol (CID 155137470) is [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol is OCC1COC(COCC2COC(COC3CCCCCCCCCCCC3)CO2)CO1.
What is the InChIKey of [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol?
The InChIKey is BWOGBUPHUOTWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O7/c26-13-22-16-30-23(17-29-22)14-27-15-24-18-32-25(20-31-24)19-28-21-11-9-7-5-3-1-2-4-6-8-10-12-21/h21-26H,1-20H2.
What are the key properties of [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol?
[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol has a molecular weight of 458.64 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 155137470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).