(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol

C18H34O3 — CID 11381001

IUPAC(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1
InChIInChI=1S/C18H34O3/c1-3-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(21-17)20-4-2/h12,14,16-19H,3-11,13,15H2,1-2H3/t16-,17-,18+/m1/s1
InChIKeyAPSJGXVCKPNKNO-KURKYZTESA-N
MW298.47 g/mol
LogP4.59
Rot. Bonds12

About (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol

(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol (PubChem CID 11381001) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol
PubChem CID11381001
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1
InChIInChI=1S/C18H34O3/c1-3-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(21-17)20-4-2/h12,14,16-19H,3-11,13,15H2,1-2H3/t16-,17-,18+/m1/s1
InChIKeyAPSJGXVCKPNKNO-KURKYZTESA-N
XLogP4.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 53305121
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-undec-2-enoxy]oxane-3,4,5-triol
CID 101197699
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-undec-2-enoxy]oxane-3,4,5-triol
CID 145965293
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-undec-2-enoxy]oxane-3,4,5-triol
CID 145974934
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-undec-2-enoxy]oxane-3,4,5-triol
CID 145976782
2-(hydroxymethyl)-6-undec-10-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 388312
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
(2S,3S,6R)-6-hexoxy-2-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyran-3-ol
CID 22880099
(2S,3S,6R)-6-hexoxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
CID 22880101
(2S,3S,6S)-6-hexoxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
CID 22880105
(2R)-2,3-dihydroxy-1-[(Z)-octadec-9-enoxy]propan-1-olate
CID 5288835
(2R)-3-[(Z)-1-hydroxyoctadec-9-enoxy]propane-1,2-diol
CID 90657120

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol?
The IUPAC name of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol (CID 11381001) is (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol.
What is the SMILES notation for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol?
The canonical SMILES for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol is CCCCCCCCCC[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1.
What is the InChIKey of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol?
The InChIKey is APSJGXVCKPNKNO-KURKYZTESA-N. The full InChI is InChI=1S/C18H34O3/c1-3-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(21-17)20-4-2/h12,14,16-19H,3-11,13,15H2,1-2H3/t16-,17-,18+/m1/s1.
What are the key properties of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol?
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol is sourced from PubChem (CID 11381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).