(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol

C15H28O5 — CID 10589446

IUPAC(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol
SMILESCOC1(/C=C\CC(O)CCC(C)(O)CO)CCCCO1
InChIInChI=1S/C15H28O5/c1-14(18,12-16)10-7-13(17)6-5-9-15(19-2)8-3-4-11-20-15/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/b9-5-
InChIKeyCLKWZDVRSGPZGB-UITAMQMPSA-N
MW288.38 g/mol
LogP1.36
Rot. Bonds8

About (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol

(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol (PubChem CID 10589446) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol.

Molecular Properties

Compound Name(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol
PubChem CID10589446
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol
SMILESCOC1(/C=C\CC(O)CCC(C)(O)CO)CCCCO1
InChIInChI=1S/C15H28O5/c1-14(18,12-16)10-7-13(17)6-5-9-15(19-2)8-3-4-11-20-15/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/b9-5-
InChIKeyCLKWZDVRSGPZGB-UITAMQMPSA-N
XLogP1.36
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
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 (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol?
The IUPAC name of (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol (CID 10589446) is (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol.
What is the SMILES notation for (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol?
The canonical SMILES for (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol is COC1(/C=C\CC(O)CCC(C)(O)CO)CCCCO1.
What is the InChIKey of (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol?
The InChIKey is CLKWZDVRSGPZGB-UITAMQMPSA-N. The full InChI is InChI=1S/C15H28O5/c1-14(18,12-16)10-7-13(17)6-5-9-15(19-2)8-3-4-11-20-15/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/b9-5-.
What are the key properties of (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol?
(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol has a molecular weight of 288.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol is sourced from PubChem (CID 10589446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).