(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol

C12H24O4 — CID 23249217

IUPAC(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
SMILESC=CC[C@H](C)[C@@H](C[C@H](O)CCO)OCOC
InChIInChI=1S/C12H24O4/c1-4-5-10(2)12(16-9-15-3)8-11(14)6-7-13/h4,10-14H,1,5-9H2,2-3H3/t10-,11+,12+/m0/s1
InChIKeyWYLMXZWLJUSAAJ-QJPTWQEYSA-N
MW232.32 g/mol
LogP1.32
Rot. Bonds10

About (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol

(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol (PubChem CID 23249217) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol.

Molecular Properties

Compound Name(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
PubChem CID23249217
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
SMILESC=CC[C@H](C)[C@@H](C[C@H](O)CCO)OCOC
InChIInChI=1S/C12H24O4/c1-4-5-10(2)12(16-9-15-3)8-11(14)6-7-13/h4,10-14H,1,5-9H2,2-3H3/t10-,11+,12+/m0/s1
InChIKeyWYLMXZWLJUSAAJ-QJPTWQEYSA-N
XLogP1.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol?
The IUPAC name of (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol (CID 23249217) is (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol.
What is the SMILES notation for (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol?
The canonical SMILES for (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol is C=CC[C@H](C)[C@@H](C[C@H](O)CCO)OCOC.
What is the InChIKey of (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol?
The InChIKey is WYLMXZWLJUSAAJ-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-5-10(2)12(16-9-15-3)8-11(14)6-7-13/h4,10-14H,1,5-9H2,2-3H3/t10-,11+,12+/m0/s1.
What are the key properties of (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol?
(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol has a molecular weight of 232.32 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol is sourced from PubChem (CID 23249217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).