[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol

C12H20O5 — CID 87061012

IUPAC[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
SMILESOCC1COC2(CCC(OCC3CO3)CC2)O1
InChIInChI=1S/C12H20O5/c13-5-10-8-16-12(17-10)3-1-9(2-4-12)14-6-11-7-15-11/h9-11,13H,1-8H2
InChIKeySNCHCPZGALRUDU-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds4

About [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol

[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol (PubChem CID 87061012) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
PubChem CID87061012
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
SMILESOCC1COC2(CCC(OCC3CO3)CC2)O1
InChIInChI=1S/C12H20O5/c13-5-10-8-16-12(17-10)3-1-9(2-4-12)14-6-11-7-15-11/h9-11,13H,1-8H2
InChIKeySNCHCPZGALRUDU-UHFFFAOYSA-N
XLogP0.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
CID 155137470
(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
CID 22967026
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13363042
(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol
CID 22967024
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
5,8-dioxaspiro[3.4]octan-7-ylmethyl acetate
CID 54401844
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
3-(chloromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82778141
[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
CID 81218739
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052

Frequently Asked Questions

What is the IUPAC name of [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol (CID 87061012) is [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol is OCC1COC2(CCC(OCC3CO3)CC2)O1.
What is the InChIKey of [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The InChIKey is SNCHCPZGALRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c13-5-10-8-16-12(17-10)3-1-9(2-4-12)14-6-11-7-15-11/h9-11,13H,1-8H2.
What are the key properties of [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol has a molecular weight of 244.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 87061012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).