(4E,6Z)-nona-4,6,8-triene-1,1-diol

C9H14O2 — CID 153499491

IUPAC(4E,6Z)-nona-4,6,8-triene-1,1-diol
SMILESC=C/C=C\C=C\CCC(O)O
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6,9-11H,1,7-8H2/b4-3-,6-5+
InChIKeyMPSGCJXFVSSPIM-DNVGVPOPSA-N
MW154.21 g/mol
LogP1.38
Rot. Bonds5

About (4E,6Z)-nona-4,6,8-triene-1,1-diol

(4E,6Z)-nona-4,6,8-triene-1,1-diol (PubChem CID 153499491) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4E,6Z)-nona-4,6,8-triene-1,1-diol.

Molecular Properties

Compound Name(4E,6Z)-nona-4,6,8-triene-1,1-diol
PubChem CID153499491
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4E,6Z)-nona-4,6,8-triene-1,1-diol
SMILESC=C/C=C\C=C\CCC(O)O
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6,9-11H,1,7-8H2/b4-3-,6-5+
InChIKeyMPSGCJXFVSSPIM-DNVGVPOPSA-N
XLogP1.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
CID 126612378
(6E)-nona-6,8-dien-1-yn-3-ol
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tetradeca-9,11,13-trien-1-ol
CID 71341852
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
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7,11,15-trimethylhexadeca-1,3-dien-8-ol
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(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-nona-4,6,8-triene-1,1-diol?
The IUPAC name of (4E,6Z)-nona-4,6,8-triene-1,1-diol (CID 153499491) is (4E,6Z)-nona-4,6,8-triene-1,1-diol.
What is the SMILES notation for (4E,6Z)-nona-4,6,8-triene-1,1-diol?
The canonical SMILES for (4E,6Z)-nona-4,6,8-triene-1,1-diol is C=C/C=C\C=C\CCC(O)O.
What is the InChIKey of (4E,6Z)-nona-4,6,8-triene-1,1-diol?
The InChIKey is MPSGCJXFVSSPIM-DNVGVPOPSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6,9-11H,1,7-8H2/b4-3-,6-5+.
What are the key properties of (4E,6Z)-nona-4,6,8-triene-1,1-diol?
(4E,6Z)-nona-4,6,8-triene-1,1-diol has a molecular weight of 154.21 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-nona-4,6,8-triene-1,1-diol is sourced from PubChem (CID 153499491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).