(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol

C14H22O5 — CID 11043822

IUPAC(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol
SMILESCCO[C@H]1C[C@H]2O[C@H]2C[C@H]2O[C@@H]1C[C@@H]1O[C@@H]1C[C@@H]2O
InChIInChI=1S/C14H22O5/c1-2-16-9-5-13-12(19-13)4-8-7(15)3-10-14(18-10)6-11(9)17-8/h7-15H,2-6H2,1H3/t7-,8+,9-,10+,11+,12-,13+,14-/m0/s1
InChIKeyYRFXCSQZRPTBDR-GHKKJFFVSA-N
MW270.32 g/mol
LogP0.63
Rot. Bonds2

About (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol

(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol (PubChem CID 11043822) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol.

Molecular Properties

Compound Name(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol
PubChem CID11043822
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol
SMILESCCO[C@H]1C[C@H]2O[C@H]2C[C@H]2O[C@@H]1C[C@@H]1O[C@@H]1C[C@@H]2O
InChIInChI=1S/C14H22O5/c1-2-16-9-5-13-12(19-13)4-8-7(15)3-10-14(18-10)6-11(9)17-8/h7-15H,2-6H2,1H3/t7-,8+,9-,10+,11+,12-,13+,14-/m0/s1
InChIKeyYRFXCSQZRPTBDR-GHKKJFFVSA-N
XLogP0.63
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol?
The IUPAC name of (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol (CID 11043822) is (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol.
What is the SMILES notation for (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol?
The canonical SMILES for (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol is CCO[C@H]1C[C@H]2O[C@H]2C[C@H]2O[C@@H]1C[C@@H]1O[C@@H]1C[C@@H]2O.
What is the InChIKey of (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol?
The InChIKey is YRFXCSQZRPTBDR-GHKKJFFVSA-N. The full InChI is InChI=1S/C14H22O5/c1-2-16-9-5-13-12(19-13)4-8-7(15)3-10-14(18-10)6-11(9)17-8/h7-15H,2-6H2,1H3/t7-,8+,9-,10+,11+,12-,13+,14-/m0/s1.
What are the key properties of (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol?
(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol has a molecular weight of 270.32 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol is sourced from PubChem (CID 11043822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).