[(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol

C12H22O4 — CID 11791028

IUPAC[(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol
SMILESC=CCC[C@H](OCOC)[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C12H22O4/c1-3-4-5-11(15-9-14-2)12-7-6-10(8-13)16-12/h3,10-13H,1,4-9H2,2H3/t10-,11-,12-/m0/s1
InChIKeyUITFOXGIVYUOIG-SRVKXCTJSA-N
MW230.30 g/mol
LogP1.48
Rot. Bonds8

About [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol

[(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol (PubChem CID 11791028) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol
PubChem CID11791028
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name[(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol
SMILESC=CCC[C@H](OCOC)[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C12H22O4/c1-3-4-5-11(15-9-14-2)12-7-6-10(8-13)16-12/h3,10-13H,1,4-9H2,2H3/t10-,11-,12-/m0/s1
InChIKeyUITFOXGIVYUOIG-SRVKXCTJSA-N
XLogP1.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
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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Related Compounds

(2R,3R,4R,5R)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofuran-3,4-diol
CID 44442295
(2R,3R,4R,5S)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofuran-3,4-diol
CID 44442296
(3R,4R,5S)-5-((R)-2-hydroxy-1-(undec-10-enyloxy)ethyl)-tetrahydrofuran-2,3,4-triol
CID 44442298
(2S,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-prop-2-enyloxane-3,4,5-triol
CID 129637651
Allyl-beta-galactofuranose
CID 140714337
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol
CID 42627501
1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-en-1-ol
CID 11095962
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
[(1R)-1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]pent-4-enyl] acetate
CID 11961399
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
CID 24905943

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol (CID 11791028) is [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol is C=CCC[C@H](OCOC)[C@@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol?
The InChIKey is UITFOXGIVYUOIG-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-4-5-11(15-9-14-2)12-7-6-10(8-13)16-12/h3,10-13H,1,4-9H2,2H3/t10-,11-,12-/m0/s1.
What are the key properties of [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol?
[(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol has a molecular weight of 230.30 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-[(1S)-1-(methoxymethoxy)pent-4-enyl]oxolan-2-yl]methanol is sourced from PubChem (CID 11791028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).