(4S,6S)-nona-1,8-diene-4,6-diol

C9H16O2 — CID 15694188

IUPAC(4S,6S)-nona-1,8-diene-4,6-diol
SMILESC=CC[C@H](O)C[C@@H](O)CC=C
InChIInChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-4,8-11H,1-2,5-7H2/t8-,9-/m0/s1
InChIKeyLHKAUHASHIRZBL-IUCAKERBSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds6

About (4S,6S)-nona-1,8-diene-4,6-diol

(4S,6S)-nona-1,8-diene-4,6-diol (PubChem CID 15694188) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4S,6S)-nona-1,8-diene-4,6-diol.

Molecular Properties

Compound Name(4S,6S)-nona-1,8-diene-4,6-diol
PubChem CID15694188
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4S,6S)-nona-1,8-diene-4,6-diol
SMILESC=CC[C@H](O)C[C@@H](O)CC=C
InChIInChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-4,8-11H,1-2,5-7H2/t8-,9-/m0/s1
InChIKeyLHKAUHASHIRZBL-IUCAKERBSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-nona-1,8-diene-4,6-diol?
The IUPAC name of (4S,6S)-nona-1,8-diene-4,6-diol (CID 15694188) is (4S,6S)-nona-1,8-diene-4,6-diol.
What is the SMILES notation for (4S,6S)-nona-1,8-diene-4,6-diol?
The canonical SMILES for (4S,6S)-nona-1,8-diene-4,6-diol is C=CC[C@H](O)C[C@@H](O)CC=C.
What is the InChIKey of (4S,6S)-nona-1,8-diene-4,6-diol?
The InChIKey is LHKAUHASHIRZBL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-4,8-11H,1-2,5-7H2/t8-,9-/m0/s1.
What are the key properties of (4S,6S)-nona-1,8-diene-4,6-diol?
(4S,6S)-nona-1,8-diene-4,6-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-nona-1,8-diene-4,6-diol is sourced from PubChem (CID 15694188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).