(E,4R)-non-2-ene-1,4-diol

C9H18O2 — CID 11030095

IUPAC(E,4R)-non-2-ene-1,4-diol
SMILESCCCCC[C@@H](O)/C=C/CO
InChIInChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,9-11H,2-4,6,8H2,1H3/b7-5+/t9-/m1/s1
InChIKeyZDHRSPRSUBAAIO-VPIOIWJLSA-N
MW158.24 g/mol
LogP1.48
Rot. Bonds6

About (E,4R)-non-2-ene-1,4-diol

(E,4R)-non-2-ene-1,4-diol (PubChem CID 11030095) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E,4R)-non-2-ene-1,4-diol.

Molecular Properties

Compound Name(E,4R)-non-2-ene-1,4-diol
PubChem CID11030095
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E,4R)-non-2-ene-1,4-diol
SMILESCCCCC[C@@H](O)/C=C/CO
InChIInChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,9-11H,2-4,6,8H2,1H3/b7-5+/t9-/m1/s1
InChIKeyZDHRSPRSUBAAIO-VPIOIWJLSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-2-ene-1,4-diol
CID 14106146
(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
CID 10846135
octadec-3-en-5-ol
CID 144649733
henicos-7-en-6-ol
CID 91409967
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
(E,7R,11R)-heptadec-8-ene-7,11-diol
CID 101453637
(E)-non-3-en-5-ol
CID 18957163
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(E)-1-chlorooct-1-en-3-ol
CID 14723484

Frequently Asked Questions

What is the IUPAC name of (E,4R)-non-2-ene-1,4-diol?
The IUPAC name of (E,4R)-non-2-ene-1,4-diol (CID 11030095) is (E,4R)-non-2-ene-1,4-diol.
What is the SMILES notation for (E,4R)-non-2-ene-1,4-diol?
The canonical SMILES for (E,4R)-non-2-ene-1,4-diol is CCCCC[C@@H](O)/C=C/CO.
What is the InChIKey of (E,4R)-non-2-ene-1,4-diol?
The InChIKey is ZDHRSPRSUBAAIO-VPIOIWJLSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,9-11H,2-4,6,8H2,1H3/b7-5+/t9-/m1/s1.
What are the key properties of (E,4R)-non-2-ene-1,4-diol?
(E,4R)-non-2-ene-1,4-diol has a molecular weight of 158.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-non-2-ene-1,4-diol is sourced from PubChem (CID 11030095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).