[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol

C16H26O5 — CID 142493949

IUPAC[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol
SMILESC#CCO[C@H]1[C@H](OC)OC(CO)[C@H]1OCC1CCCCC1
InChIInChI=1S/C16H26O5/c1-3-9-19-15-14(13(10-17)21-16(15)18-2)20-11-12-7-5-4-6-8-12/h1,12-17H,4-11H2,2H3/t13?,14-,15-,16-/m1/s1
InChIKeyNNNQSVGIRFKVAJ-VZMGZUMBSA-N
MW298.38 g/mol
LogP1.33
Rot. Bonds7

About [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol

[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol (PubChem CID 142493949) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol
PubChem CID142493949
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol
SMILESC#CCO[C@H]1[C@H](OC)OC(CO)[C@H]1OCC1CCCCC1
InChIInChI=1S/C16H26O5/c1-3-9-19-15-14(13(10-17)21-16(15)18-2)20-11-12-7-5-4-6-8-12/h1,12-17H,4-11H2,2H3/t13?,14-,15-,16-/m1/s1
InChIKeyNNNQSVGIRFKVAJ-VZMGZUMBSA-N
XLogP1.33
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol with MolForge

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Related Compounds

[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol
CID 156689108
[(2R,3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methyl benzoate
CID 137357642
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-ynoxyoxan-2-yl]methanol
CID 102412962
(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane
CID 53467505
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol
CID 10890525
(2S,5R)-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-ynoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121286096
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 11821811
2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 73117029
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 102401700

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol?
The IUPAC name of [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol (CID 142493949) is [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol?
The canonical SMILES for [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol is C#CCO[C@H]1[C@H](OC)OC(CO)[C@H]1OCC1CCCCC1.
What is the InChIKey of [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol?
The InChIKey is NNNQSVGIRFKVAJ-VZMGZUMBSA-N. The full InChI is InChI=1S/C16H26O5/c1-3-9-19-15-14(13(10-17)21-16(15)18-2)20-11-12-7-5-4-6-8-12/h1,12-17H,4-11H2,2H3/t13?,14-,15-,16-/m1/s1.
What are the key properties of [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol?
[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol has a molecular weight of 298.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol is sourced from PubChem (CID 142493949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).