(2R,5S)-non-8-ene-2,5-diol

C9H18O2 — CID 10866610

IUPAC(2R,5S)-non-8-ene-2,5-diol
SMILESC=CCC[C@H](O)CC[C@@H](C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-9(11)7-6-8(2)10/h3,8-11H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyVOPCSIHRGQNUCF-BDAKNGLRSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds6

About (2R,5S)-non-8-ene-2,5-diol

(2R,5S)-non-8-ene-2,5-diol (PubChem CID 10866610) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R,5S)-non-8-ene-2,5-diol.

Molecular Properties

Compound Name(2R,5S)-non-8-ene-2,5-diol
PubChem CID10866610
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R,5S)-non-8-ene-2,5-diol
SMILESC=CCC[C@H](O)CC[C@@H](C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-9(11)7-6-8(2)10/h3,8-11H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyVOPCSIHRGQNUCF-BDAKNGLRSA-N
XLogP1.47
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 ≤ 51.47
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

1-Octen-3-Ol
CID 18827
9-Decen-1-ol
CID 25612
10-Undecen-1-ol
CID 8185
1-Nonen-3-ol
CID 89560
1-Decen-3-ol
CID 170977
(R)-oct-1-en-3-ol
CID 6992244
16-Heptadecene-1,2,4-triol
CID 158573
16-Heptadecene-1,2,4-triol, (2R,4R)-
CID 21635755
1-Undecen-3-ol
CID 3015762
(S)-1-Octen-3-ol
CID 2724898
7-Octen-2-ol
CID 542172
7-Octen-4-OL
CID 40923

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-non-8-ene-2,5-diol?
The IUPAC name of (2R,5S)-non-8-ene-2,5-diol (CID 10866610) is (2R,5S)-non-8-ene-2,5-diol.
What is the SMILES notation for (2R,5S)-non-8-ene-2,5-diol?
The canonical SMILES for (2R,5S)-non-8-ene-2,5-diol is C=CCC[C@H](O)CC[C@@H](C)O.
What is the InChIKey of (2R,5S)-non-8-ene-2,5-diol?
The InChIKey is VOPCSIHRGQNUCF-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-9(11)7-6-8(2)10/h3,8-11H,1,4-7H2,2H3/t8-,9+/m1/s1.
What are the key properties of (2R,5S)-non-8-ene-2,5-diol?
(2R,5S)-non-8-ene-2,5-diol has a molecular weight of 158.24 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-non-8-ene-2,5-diol is sourced from PubChem (CID 10866610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).