(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane

C20H34O6 — CID 10619170

IUPAC(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane
SMILESC/C=C/[C@H](OCOC)[C@@H]1CC[C@H]([C@H]2CC[C@@H]([C@H](/C=C/C)OCOC)O2)O1
InChIInChI=1S/C20H34O6/c1-5-7-15(23-13-21-3)17-9-11-19(25-17)20-12-10-18(26-20)16(8-6-2)24-14-22-4/h5-8,15-20H,9-14H2,1-4H3/b7-5+,8-6+/t15-,16-,17-,18-,19+,20+/m0/s1
InChIKeyOLCJCFKAQZSIAU-BWEMMFFMSA-N
MW370.49 g/mol
LogP3.21
Rot. Bonds11

About (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane

(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane (PubChem CID 10619170) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane.

Molecular Properties

Compound Name(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane
PubChem CID10619170
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane
SMILESC/C=C/[C@H](OCOC)[C@@H]1CC[C@H]([C@H]2CC[C@@H]([C@H](/C=C/C)OCOC)O2)O1
InChIInChI=1S/C20H34O6/c1-5-7-15(23-13-21-3)17-9-11-19(25-17)20-12-10-18(26-20)16(8-6-2)24-14-22-4/h5-8,15-20H,9-14H2,1-4H3/b7-5+,8-6+/t15-,16-,17-,18-,19+,20+/m0/s1
InChIKeyOLCJCFKAQZSIAU-BWEMMFFMSA-N
XLogP3.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
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

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CID 129866832
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CID 13762314
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-2,2-dimethyl-5-tetradec-1-enyl-1,3-dioxolan-4-yl]methanol
CID 57369104
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196
2-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]-2H-furan-5-one
CID 135016298
D-Manno-(Z)-tetradec-6-ene-1,2,3,4,5-pentatol, 1,2:4,5-di-O-isopropylidene-
CID 5363631
D-Manno-(E)-tetradec-6-ene-1,2,3,4,5-pentatol, 1,2:4,5-DI-O-isopropylidene-
CID 5363632
[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate
CID 11012405
7-(1,6-dioxaspiro[4.4]nonan-2-yl)-8-[3-[(E)-prop-1-enoxy]propyl]-1,6-dioxaspiro[4.5]dec-7-ene
CID 140385540
(4S,6aR)-4-ethenyl-2-[(9Z,12Z)-octadeca-9,12-dienyl]-2-[(Z)-octadec-12-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 143992113
3-[3-(Oxan-2-yloxy)oct-1-enyl]-1,4-dioxaspiro[4.4]nonane
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2-Ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane
CID 155615847

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane?
The IUPAC name of (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane (CID 10619170) is (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane.
What is the SMILES notation for (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane?
The canonical SMILES for (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane is C/C=C/[C@H](OCOC)[C@@H]1CC[C@H]([C@H]2CC[C@@H]([C@H](/C=C/C)OCOC)O2)O1.
What is the InChIKey of (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane?
The InChIKey is OLCJCFKAQZSIAU-BWEMMFFMSA-N. The full InChI is InChI=1S/C20H34O6/c1-5-7-15(23-13-21-3)17-9-11-19(25-17)20-12-10-18(26-20)16(8-6-2)24-14-22-4/h5-8,15-20H,9-14H2,1-4H3/b7-5+,8-6+/t15-,16-,17-,18-,19+,20+/m0/s1.
What are the key properties of (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane?
(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane has a molecular weight of 370.49 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane is sourced from PubChem (CID 10619170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).