(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol

C10H18O5 — CID 102463401

IUPAC(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCO[C@@H]1[C@H](O)CCC2(OCCO2)[C@H]1CO
InChIInChI=1S/C10H18O5/c1-13-9-7(6-11)10(3-2-8(9)12)14-4-5-15-10/h7-9,11-12H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyLCPDPJQUPQXQNA-YIZRAAEISA-N
MW218.25 g/mol
LogP-0.49
Rot. Bonds2

About (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol

(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 102463401) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID102463401
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCO[C@@H]1[C@H](O)CCC2(OCCO2)[C@H]1CO
InChIInChI=1S/C10H18O5/c1-13-9-7(6-11)10(3-2-8(9)12)14-4-5-15-10/h7-9,11-12H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyLCPDPJQUPQXQNA-YIZRAAEISA-N
XLogP-0.49
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl 7-[(8S,9R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-9-yl]-7-oxoheptanoate
CID 23239275
(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol
CID 149282015
methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate
CID 10750624
methyl (E)-5-[(8R,9R)-8-(2-methoxy-2-oxoethyl)-1,4-dioxaspiro[4.4]nonan-9-yl]pent-3-enoate
CID 11120530
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
(8S,9R)-8-methyl-9-pentyl-1,4-dioxaspiro[4.4]nonane
CID 154944031
methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 163458835
2,4-dimethoxy-4-methyl-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol
CID 123229081
2-(9-pentyl-1,4-dioxaspiro[4.4]nonan-8-yl)ethyl acetate
CID 152765326
2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 90741490
(1R,2S,3S,4R)-1,4-dihydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexane-1-carbaldehyde
CID 11120072
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol (CID 102463401) is (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol is CO[C@@H]1[C@H](O)CCC2(OCCO2)[C@H]1CO.
What is the InChIKey of (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LCPDPJQUPQXQNA-YIZRAAEISA-N. The full InChI is InChI=1S/C10H18O5/c1-13-9-7(6-11)10(3-2-8(9)12)14-4-5-15-10/h7-9,11-12H,2-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol?
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 218.25 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 102463401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).