(E,2S,4S)-non-6-ene-2,4-diol

C9H18O2 — CID 102156036

IUPAC(E,2S,4S)-non-6-ene-2,4-diol
SMILESCC/C=C/C[C@H](O)C[C@H](C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-6-9(11)7-8(2)10/h4-5,8-11H,3,6-7H2,1-2H3/b5-4+/t8-,9-/m0/s1
InChIKeyAXDPBTRZPBZPAL-HXQNXIEXSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About (E,2S,4S)-non-6-ene-2,4-diol

(E,2S,4S)-non-6-ene-2,4-diol (PubChem CID 102156036) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E,2S,4S)-non-6-ene-2,4-diol.

Molecular Properties

Compound Name(E,2S,4S)-non-6-ene-2,4-diol
PubChem CID102156036
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E,2S,4S)-non-6-ene-2,4-diol
SMILESCC/C=C/C[C@H](O)C[C@H](C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-6-9(11)7-8(2)10/h4-5,8-11H,3,6-7H2,1-2H3/b5-4+/t8-,9-/m0/s1
InChIKeyAXDPBTRZPBZPAL-HXQNXIEXSA-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

2,5-dihydroxydec-7-en-3-one
CID 159505042
(Z,2R)-6-aminohex-4-en-2-ol
CID 164590352
3,5,7-trihydroxyoctanal
CID 164710591
(Z,3S)-2,2-dimethyloct-5-en-3-ol
CID 158993926
N-methylhept-4-en-2-amine
CID 123748755
decane-2,4,7,9-tetrol
CID 87436016
carbanide;hexane-2,4-diol;yttrium
CID 59749638
heptane-2,4-diol
CID 161420509
2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
CID 144507824
(Z)-non-6-en-2-ol
CID 12835464
(E,2S)-non-6-en-2-ol
CID 12835465
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150

Frequently Asked Questions

What is the IUPAC name of (E,2S,4S)-non-6-ene-2,4-diol?
The IUPAC name of (E,2S,4S)-non-6-ene-2,4-diol (CID 102156036) is (E,2S,4S)-non-6-ene-2,4-diol.
What is the SMILES notation for (E,2S,4S)-non-6-ene-2,4-diol?
The canonical SMILES for (E,2S,4S)-non-6-ene-2,4-diol is CC/C=C/C[C@H](O)C[C@H](C)O.
What is the InChIKey of (E,2S,4S)-non-6-ene-2,4-diol?
The InChIKey is AXDPBTRZPBZPAL-HXQNXIEXSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-6-9(11)7-8(2)10/h4-5,8-11H,3,6-7H2,1-2H3/b5-4+/t8-,9-/m0/s1.
What are the key properties of (E,2S,4S)-non-6-ene-2,4-diol?
(E,2S,4S)-non-6-ene-2,4-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,4S)-non-6-ene-2,4-diol is sourced from PubChem (CID 102156036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).