(E,2S,8S)-non-3-ene-2,8-diol

C9H18O2 — CID 101449436

IUPAC(E,2S,8S)-non-3-ene-2,8-diol
SMILESC[C@H](O)/C=C/CCC[C@H](C)O
InChIInChI=1S/C9H18O2/c1-8(10)6-4-3-5-7-9(2)11/h4,6,8-11H,3,5,7H2,1-2H3/b6-4+/t8-,9-/m0/s1
InChIKeyJQDJVHQDWJSZCW-AIZLHNLISA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About (E,2S,8S)-non-3-ene-2,8-diol

(E,2S,8S)-non-3-ene-2,8-diol (PubChem CID 101449436) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E,2S,8S)-non-3-ene-2,8-diol.

Molecular Properties

Compound Name(E,2S,8S)-non-3-ene-2,8-diol
PubChem CID101449436
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E,2S,8S)-non-3-ene-2,8-diol
SMILESC[C@H](O)/C=C/CCC[C@H](C)O
InChIInChI=1S/C9H18O2/c1-8(10)6-4-3-5-7-9(2)11/h4,6,8-11H,3,5,7H2,1-2H3/b6-4+/t8-,9-/m0/s1
InChIKeyJQDJVHQDWJSZCW-AIZLHNLISA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of (E,2S,8S)-non-3-ene-2,8-diol?
The IUPAC name of (E,2S,8S)-non-3-ene-2,8-diol (CID 101449436) is (E,2S,8S)-non-3-ene-2,8-diol.
What is the SMILES notation for (E,2S,8S)-non-3-ene-2,8-diol?
The canonical SMILES for (E,2S,8S)-non-3-ene-2,8-diol is C[C@H](O)/C=C/CCC[C@H](C)O.
What is the InChIKey of (E,2S,8S)-non-3-ene-2,8-diol?
The InChIKey is JQDJVHQDWJSZCW-AIZLHNLISA-N. The full InChI is InChI=1S/C9H18O2/c1-8(10)6-4-3-5-7-9(2)11/h4,6,8-11H,3,5,7H2,1-2H3/b6-4+/t8-,9-/m0/s1.
What are the key properties of (E,2S,8S)-non-3-ene-2,8-diol?
(E,2S,8S)-non-3-ene-2,8-diol has a molecular weight of 158.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,8S)-non-3-ene-2,8-diol is sourced from PubChem (CID 101449436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).