(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene

C15H24O5 — CID 177468307

IUPAC(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene
SMILESCOC1CCC/C=C/CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12
InChIInChI=1S/C15H24O5/c1-15(2)19-13-12-11(18-14(13)20-15)10(16-3)8-6-4-5-7-9-17-12/h5,7,10-14H,4,6,8-9H2,1-3H3/b7-5+/t10?,11-,12+,13-,14-/m1/s1
InChIKeyGAJYMPPBWDMENE-HYLGHVSNSA-N
MW284.35 g/mol
LogP2.00
Rot. Bonds1

About (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene

(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene (PubChem CID 177468307) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene.

Molecular Properties

Compound Name(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene
PubChem CID177468307
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene
SMILESCOC1CCC/C=C/CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12
InChIInChI=1S/C15H24O5/c1-15(2)19-13-12-11(18-14(13)20-15)10(16-3)8-6-4-5-7-9-17-12/h5,7,10-14H,4,6,8-9H2,1-3H3/b7-5+/t10?,11-,12+,13-,14-/m1/s1
InChIKeyGAJYMPPBWDMENE-HYLGHVSNSA-N
XLogP2.00
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene?
The IUPAC name of (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene (CID 177468307) is (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene.
What is the SMILES notation for (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene?
The canonical SMILES for (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene is COC1CCC/C=C/CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12.
What is the InChIKey of (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene?
The InChIKey is GAJYMPPBWDMENE-HYLGHVSNSA-N. The full InChI is InChI=1S/C15H24O5/c1-15(2)19-13-12-11(18-14(13)20-15)10(16-3)8-6-4-5-7-9-17-12/h5,7,10-14H,4,6,8-9H2,1-3H3/b7-5+/t10?,11-,12+,13-,14-/m1/s1.
What are the key properties of (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene?
(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene has a molecular weight of 284.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene is sourced from PubChem (CID 177468307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).