(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol

C13H24O6 — CID 25260374

IUPAC(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol
SMILESC=CC[C@H](/C=C/[C@H](OCOC)[C@H](O)CO)OCOC
InChIInChI=1S/C13H24O6/c1-4-5-11(18-9-16-2)6-7-13(12(15)8-14)19-10-17-3/h4,6-7,11-15H,1,5,8-10H2,2-3H3/b7-6+/t11-,12-,13+/m1/s1
InChIKeyPNWGZGPKOZSLSR-SPAXLYFESA-N
MW276.33 g/mol
LogP0.45
Rot. Bonds12

About (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol

(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol (PubChem CID 25260374) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol.

Molecular Properties

Compound Name(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol
PubChem CID25260374
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol
SMILESC=CC[C@H](/C=C/[C@H](OCOC)[C@H](O)CO)OCOC
InChIInChI=1S/C13H24O6/c1-4-5-11(18-9-16-2)6-7-13(12(15)8-14)19-10-17-3/h4,6-7,11-15H,1,5,8-10H2,2-3H3/b7-6+/t11-,12-,13+/m1/s1
InChIKeyPNWGZGPKOZSLSR-SPAXLYFESA-N
XLogP0.45
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025
2-bromo-4-(methoxymethoxy)hepta-1,6-diene
CID 10331623
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
CID 56946981
(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol
CID 89333893
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
(2S)-2-(methoxymethoxy)hex-5-en-1-ol
CID 11506501
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(8S)-8-(methoxymethoxy)dec-9-en-1-ol
CID 24862520
4-(methoxymethoxy)non-1-ene
CID 14592865
(4R)-4-ethoxy-5,6-dihydroxyhex-2-enenitrile
CID 173475986
3-prop-2-enylbutane-1,2,4-triol
CID 13198343

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol?
The IUPAC name of (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol (CID 25260374) is (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol.
What is the SMILES notation for (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol?
The canonical SMILES for (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol is C=CC[C@H](/C=C/[C@H](OCOC)[C@H](O)CO)OCOC.
What is the InChIKey of (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol?
The InChIKey is PNWGZGPKOZSLSR-SPAXLYFESA-N. The full InChI is InChI=1S/C13H24O6/c1-4-5-11(18-9-16-2)6-7-13(12(15)8-14)19-10-17-3/h4,6-7,11-15H,1,5,8-10H2,2-3H3/b7-6+/t11-,12-,13+/m1/s1.
What are the key properties of (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol?
(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol has a molecular weight of 276.33 g/mol, XLogP of 0.45, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol is sourced from PubChem (CID 25260374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).