(E)-non-7-ene-2,6-diol

C9H18O2 — CID 87908692

IUPAC(E)-non-7-ene-2,6-diol
SMILESC/C=C/C(O)CCCC(C)O
InChIInChI=1S/C9H18O2/c1-3-5-9(11)7-4-6-8(2)10/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+
InChIKeyUAOZDXNTYPOUFC-HWKANZROSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About (E)-non-7-ene-2,6-diol

(E)-non-7-ene-2,6-diol (PubChem CID 87908692) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E)-non-7-ene-2,6-diol.

Molecular Properties

Compound Name(E)-non-7-ene-2,6-diol
PubChem CID87908692
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E)-non-7-ene-2,6-diol
SMILESC/C=C/C(O)CCCC(C)O
InChIInChI=1S/C9H18O2/c1-3-5-9(11)7-4-6-8(2)10/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+
InChIKeyUAOZDXNTYPOUFC-HWKANZROSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-undec-2-en-4-ol
CID 14320443
(E)-7-aminohept-2-en-4-ol;azane
CID 87834016
8-methylnon-7-ene-2,6-diol
CID 141202208
(E)-non-7-en-2-ol
CID 14615052
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
undec-10-ene-2,9-diol
CID 174994390
(E)-7-methylnon-7-en-2-ol
CID 87112296
7-methylnon-7-en-2-ol
CID 123441222
(E)-hex-4-en-3-ol
CID 5366234
(E,2R,6S)-8-[(1R,2R,3R,5R)-3-bromo-5-hydroxy-2-methylcyclopentyl]oct-7-ene-2,6-diol
CID 89163078
dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 173398579
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334

Frequently Asked Questions

What is the IUPAC name of (E)-non-7-ene-2,6-diol?
The IUPAC name of (E)-non-7-ene-2,6-diol (CID 87908692) is (E)-non-7-ene-2,6-diol.
What is the SMILES notation for (E)-non-7-ene-2,6-diol?
The canonical SMILES for (E)-non-7-ene-2,6-diol is C/C=C/C(O)CCCC(C)O.
What is the InChIKey of (E)-non-7-ene-2,6-diol?
The InChIKey is UAOZDXNTYPOUFC-HWKANZROSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-5-9(11)7-4-6-8(2)10/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-non-7-ene-2,6-diol?
(E)-non-7-ene-2,6-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)-non-7-ene-2,6-diol is sourced from PubChem (CID 87908692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).