(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol

C14H24O4 — CID 10890525

IUPAC(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol
SMILESC#CCO[C@@H]1[C@@H](O)[C@H](OC)O[C@@H]1CCCCCC
InChIInChI=1S/C14H24O4/c1-4-6-7-8-9-11-13(17-10-5-2)12(15)14(16-3)18-11/h2,11-15H,4,6-10H2,1,3H3/t11-,12-,13+,14-/m1/s1
InChIKeyDSEIBGWFLTWDDW-YIYPIFLZSA-N
MW256.34 g/mol
LogP1.71
Rot. Bonds8

About (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol

(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol (PubChem CID 10890525) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol
PubChem CID10890525
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol
SMILESC#CCO[C@@H]1[C@@H](O)[C@H](OC)O[C@@H]1CCCCCC
InChIInChI=1S/C14H24O4/c1-4-6-7-8-9-11-13(17-10-5-2)12(15)14(16-3)18-11/h2,11-15H,4,6-10H2,1,3H3/t11-,12-,13+,14-/m1/s1
InChIKeyDSEIBGWFLTWDDW-YIYPIFLZSA-N
XLogP1.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
CID 100962299
[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol
CID 156689108
(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-dioctoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 10076944
(2S,3R,4S,5S,6S)-2-methoxy-6-(octylsulfanylmethyl)oxane-3,4,5-triol
CID 15690331
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
(6R,8R,8aS)-6-methoxy-2-undecyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 140821218
(2R,3R,4R,5S,6R)-2-hexoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 154702612
(2R,3R,4S,5R,6R,7R)-5,6-dibutoxy-7-(butoxymethyl)-2-methoxyoxepane-3,4-diol
CID 71171695
5-hexyl-4-methyloxolan-2-ol
CID 14120381
[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-butyl-6-methoxyoxan-3-yl] acetate
CID 102301482
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-2-butyl-6-methoxyoxan-3-yl] acetate
CID 10914962
[(2R,3S,4R)-3,5-dimethoxy-4-octadecoxyoxolan-2-yl]methanol
CID 22828524

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol (CID 10890525) is (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol is C#CCO[C@@H]1[C@@H](O)[C@H](OC)O[C@@H]1CCCCCC.
What is the InChIKey of (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol?
The InChIKey is DSEIBGWFLTWDDW-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-6-7-8-9-11-13(17-10-5-2)12(15)14(16-3)18-11/h2,11-15H,4,6-10H2,1,3H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol?
(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol has a molecular weight of 256.34 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol is sourced from PubChem (CID 10890525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).