[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C17H24O4 — CID 25130205

IUPAC[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOC[C@@H]1CCC2(C[C@H]1COCc1ccccc1)OCCO2
InChIInChI=1S/C17H24O4/c18-11-15-6-7-17(20-8-9-21-17)10-16(15)13-19-12-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2/t15-,16-/m0/s1
InChIKeyIMNBNXMISGZFLW-HOTGVXAUSA-N
MW292.37 g/mol
LogP2.35
Rot. Bonds5

About [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 25130205) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID25130205
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOC[C@@H]1CCC2(C[C@H]1COCc1ccccc1)OCCO2
InChIInChI=1S/C17H24O4/c18-11-15-6-7-17(20-8-9-21-17)10-16(15)13-19-12-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2/t15-,16-/m0/s1
InChIKeyIMNBNXMISGZFLW-HOTGVXAUSA-N
XLogP2.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
CID 25130204
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
CID 100952584
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
benzyl 6-[(7R)-8-hydroxy-1,4-dioxaspiro[4.5]decan-7-yl]hex-4-enoate
CID 54125558
[(2S,7R,8S,9R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-2-yl]methanol
CID 135033374
benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 58208830
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
CID 58923565
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 25130205) is [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is OC[C@@H]1CCC2(C[C@H]1COCc1ccccc1)OCCO2.
What is the InChIKey of [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is IMNBNXMISGZFLW-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24O4/c18-11-15-6-7-17(20-8-9-21-17)10-16(15)13-19-12-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2/t15-,16-/m0/s1.
What are the key properties of [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 292.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 25130205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).