(E,2S)-non-6-en-2-ol

C9H18O — CID 12835465

IUPAC(E,2S)-non-6-en-2-ol
SMILESCC/C=C/CCC[C@H](C)O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4+/t9-/m0/s1
InChIKeyQDFDXJMZVKJYKY-MOVJSRMASA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds5

About (E,2S)-non-6-en-2-ol

(E,2S)-non-6-en-2-ol (PubChem CID 12835465) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E,2S)-non-6-en-2-ol.

Molecular Properties

Compound Name(E,2S)-non-6-en-2-ol
PubChem CID12835465
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E,2S)-non-6-en-2-ol
SMILESCC/C=C/CCC[C@H](C)O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4+/t9-/m0/s1
InChIKeyQDFDXJMZVKJYKY-MOVJSRMASA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-non-6-en-2-ol
CID 12835464
(E,2R)-dec-7-en-2-ol
CID 89151124
(E)-undec-8-en-2-ol
CID 118316981
dec-7-ene-2,3-diol
CID 142773808
8-methylnon-3-ene
CID 54424784
(Z)-tridec-7-en-2-ol
CID 89138962
(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
(E)-tridec-8-en-2-ol
CID 173250287
icos-9-en-2-ol
CID 91416664
(Z)-non-6-ene-1,1-diol
CID 170555028
8-methyldec-3-ene
CID 54115614

Frequently Asked Questions

What is the IUPAC name of (E,2S)-non-6-en-2-ol?
The IUPAC name of (E,2S)-non-6-en-2-ol (CID 12835465) is (E,2S)-non-6-en-2-ol.
What is the SMILES notation for (E,2S)-non-6-en-2-ol?
The canonical SMILES for (E,2S)-non-6-en-2-ol is CC/C=C/CCC[C@H](C)O.
What is the InChIKey of (E,2S)-non-6-en-2-ol?
The InChIKey is QDFDXJMZVKJYKY-MOVJSRMASA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4+/t9-/m0/s1.
What are the key properties of (E,2S)-non-6-en-2-ol?
(E,2S)-non-6-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-non-6-en-2-ol is sourced from PubChem (CID 12835465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).