(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol

C26H50O4 — CID 11177810

IUPAC(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@H]1CC[C@@H](OCOC)[C@@H](CCCCCCCCCCCCCC)O1
InChIInChI=1S/C26H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-25(29-22-28-3)21-20-24(30-26)23(27)18-7-5-2/h5,23-27H,2,4,6-22H2,1,3H3/t23-,24-,25-,26-/m1/s1
InChIKeyYZZTYUDOUCKQHK-VEYUFSJPSA-N
MW426.68 g/mol
LogP6.94
Rot. Bonds20

About (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol

(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol (PubChem CID 11177810) has the molecular formula C26H50O4 and a molecular weight of 426.68 g/mol. Its IUPAC name is (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol
PubChem CID11177810
Molecular FormulaC26H50O4
Molecular Weight426.68 g/mol
Exact Mass426.37
IUPAC Name(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@H]1CC[C@@H](OCOC)[C@@H](CCCCCCCCCCCCCC)O1
InChIInChI=1S/C26H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-25(29-22-28-3)21-20-24(30-26)23(27)18-7-5-2/h5,23-27H,2,4,6-22H2,1,3H3/t23-,24-,25-,26-/m1/s1
InChIKeyYZZTYUDOUCKQHK-VEYUFSJPSA-N
XLogP6.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-hydroxy-2-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]ethyl] 4-methylbenzenesulfonate
CID 11398825
[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
CID 11023515
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945
(2R,3R,5R)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 53350173
[(2R,3S,5S)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] benzoate
CID 11101790
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(1R)-1-[(2S,3R,5S)-3-chloro-5-[(2R,5R)-5-[(1R)-1-hydroxyhex-5-enyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 71468866
(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane
CID 101334126
2-decyl-3-pent-4-enyloxirane
CID 57481003
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol?
The IUPAC name of (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol (CID 11177810) is (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol?
The canonical SMILES for (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol is C=CCC[C@@H](O)[C@H]1CC[C@@H](OCOC)[C@@H](CCCCCCCCCCCCCC)O1.
What is the InChIKey of (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol?
The InChIKey is YZZTYUDOUCKQHK-VEYUFSJPSA-N. The full InChI is InChI=1S/C26H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-25(29-22-28-3)21-20-24(30-26)23(27)18-7-5-2/h5,23-27H,2,4,6-22H2,1,3H3/t23-,24-,25-,26-/m1/s1.
What are the key properties of (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol?
(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol has a molecular weight of 426.68 g/mol, XLogP of 6.94, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 11177810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).