(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol

C15H18O2 — CID 130246527

IUPAC(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol
SMILESC=C/C(O)=C\C=C(C=C)\C(C=C)=C\C=C(/C)O
InChIInChI=1S/C15H18O2/c1-5-13(9-8-12(4)16)14(6-2)10-11-15(17)7-3/h5-11,16-17H,1-3H2,4H3/b12-8+,13-9+,14-10+,15-11+
InChIKeySVHSKAIMFMRWQY-IBLHVVBDSA-N
MW230.31 g/mol
LogP4.30
Rot. Bonds6

About (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol

(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol (PubChem CID 130246527) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol.

Molecular Properties

Compound Name(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol
PubChem CID130246527
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol
SMILESC=C/C(O)=C\C=C(C=C)\C(C=C)=C\C=C(/C)O
InChIInChI=1S/C15H18O2/c1-5-13(9-8-12(4)16)14(6-2)10-11-15(17)7-3/h5-11,16-17H,1-3H2,4H3/b12-8+,13-9+,14-10+,15-11+
InChIKeySVHSKAIMFMRWQY-IBLHVVBDSA-N
XLogP4.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol?
The IUPAC name of (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol (CID 130246527) is (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol.
What is the SMILES notation for (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol?
The canonical SMILES for (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol is C=C/C(O)=C\C=C(C=C)\C(C=C)=C\C=C(/C)O.
What is the InChIKey of (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol?
The InChIKey is SVHSKAIMFMRWQY-IBLHVVBDSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-13(9-8-12(4)16)14(6-2)10-11-15(17)7-3/h5-11,16-17H,1-3H2,4H3/b12-8+,13-9+,14-10+,15-11+.
What are the key properties of (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol?
(2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol has a molecular weight of 230.31 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-5,6-bis(ethenyl)undeca-2,4,6,8,10-pentaene-2,9-diol is sourced from PubChem (CID 130246527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).