(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane

C13H24O4 — CID 67148123

IUPAC(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane
SMILESC=CC[C@@H]1OC(OC)[C@H](C)[C@@H](OCOC)[C@@H]1C
InChIInChI=1S/C13H24O4/c1-6-7-11-9(2)12(16-8-14-4)10(3)13(15-5)17-11/h6,9-13H,1,7-8H2,2-5H3/t9-,10-,11+,12+,13?/m1/s1
InChIKeyWTKQRQJOVZZPOI-BWOQGFTMSA-N
MW244.33 g/mol
LogP2.20
Rot. Bonds6

About (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane

(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane (PubChem CID 67148123) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane.

Molecular Properties

Compound Name(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane
PubChem CID67148123
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane
SMILESC=CC[C@@H]1OC(OC)[C@H](C)[C@@H](OCOC)[C@@H]1C
InChIInChI=1S/C13H24O4/c1-6-7-11-9(2)12(16-8-14-4)10(3)13(15-5)17-11/h6,9-13H,1,7-8H2,2-5H3/t9-,10-,11+,12+,13?/m1/s1
InChIKeyWTKQRQJOVZZPOI-BWOQGFTMSA-N
XLogP2.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
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,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane?
The IUPAC name of (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane (CID 67148123) is (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane.
What is the SMILES notation for (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane?
The canonical SMILES for (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane is C=CC[C@@H]1OC(OC)[C@H](C)[C@@H](OCOC)[C@@H]1C.
What is the InChIKey of (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane?
The InChIKey is WTKQRQJOVZZPOI-BWOQGFTMSA-N. The full InChI is InChI=1S/C13H24O4/c1-6-7-11-9(2)12(16-8-14-4)10(3)13(15-5)17-11/h6,9-13H,1,7-8H2,2-5H3/t9-,10-,11+,12+,13?/m1/s1.
What are the key properties of (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane?
(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane has a molecular weight of 244.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane is sourced from PubChem (CID 67148123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).