(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one

C15H22O4 — CID 24859784

IUPAC(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one
SMILESCO[C@H]1/C=C/CCCCC(=O)/C=C/C=C\[C@H](O)[C@@H]1O
InChIInChI=1S/C15H22O4/c1-19-14-11-5-3-2-4-8-12(16)9-6-7-10-13(17)15(14)18/h5-7,9-11,13-15,17-18H,2-4,8H2,1H3/b9-6+,10-7-,11-5+/t13-,14-,15-/m0/s1
InChIKeyXDHCHNNQIUQXKF-REUTVILYSA-N
MW266.34 g/mol
LogP1.53
Rot. Bonds1

About (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one

(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one (PubChem CID 24859784) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one.

Molecular Properties

Compound Name(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one
PubChem CID24859784
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one
SMILESCO[C@H]1/C=C/CCCCC(=O)/C=C/C=C\[C@H](O)[C@@H]1O
InChIInChI=1S/C15H22O4/c1-19-14-11-5-3-2-4-8-12(16)9-6-7-10-13(17)15(14)18/h5-7,9-11,13-15,17-18H,2-4,8H2,1H3/b9-6+,10-7-,11-5+/t13-,14-,15-/m0/s1
InChIKeyXDHCHNNQIUQXKF-REUTVILYSA-N
XLogP1.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one with MolForge

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Related Compounds

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CID 154444863
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CID 45100507
(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
CID 144676209
(1S,2R,3Z,12E)-14-methoxy-2,4-dimethylcyclotetradeca-3,12-diene-1,7-diol
CID 67992687
(1S,2R,14S)-14-methoxy-2,4-dimethylcyclotetradeca-3,12-diene-1,7-diol
CID 90960130
(2E)-cyclooct-2-en-1-one
CID 12579018
(2E,8E)-cycloicosa-2,8-diene-1,10-dione
CID 10149582
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738
(1S,2R,3Z,7R,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol;hydrochloride
CID 71488225
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 90960920
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one?
The IUPAC name of (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one (CID 24859784) is (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one.
What is the SMILES notation for (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one?
The canonical SMILES for (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one is CO[C@H]1/C=C/CCCCC(=O)/C=C/C=C\[C@H](O)[C@@H]1O.
What is the InChIKey of (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one?
The InChIKey is XDHCHNNQIUQXKF-REUTVILYSA-N. The full InChI is InChI=1S/C15H22O4/c1-19-14-11-5-3-2-4-8-12(16)9-6-7-10-13(17)15(14)18/h5-7,9-11,13-15,17-18H,2-4,8H2,1H3/b9-6+,10-7-,11-5+/t13-,14-,15-/m0/s1.
What are the key properties of (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one?
(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one has a molecular weight of 266.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one is sourced from PubChem (CID 24859784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).