(E,2S,3R)-3-methylnon-5-en-2-ol

C10H20O — CID 122413916

IUPAC(E,2S,3R)-3-methylnon-5-en-2-ol
SMILESCCC/C=C/C[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H20O/c1-4-5-6-7-8-9(2)10(3)11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+/t9-,10+/m1/s1
InChIKeyIHKVEXLKKQQHAD-YJOJJWFDSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About (E,2S,3R)-3-methylnon-5-en-2-ol

(E,2S,3R)-3-methylnon-5-en-2-ol (PubChem CID 122413916) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E,2S,3R)-3-methylnon-5-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-3-methylnon-5-en-2-ol
PubChem CID122413916
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E,2S,3R)-3-methylnon-5-en-2-ol
SMILESCCC/C=C/C[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H20O/c1-4-5-6-7-8-9(2)10(3)11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+/t9-,10+/m1/s1
InChIKeyIHKVEXLKKQQHAD-YJOJJWFDSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylnon-5-en-2-ol
CID 91526423
3-methylundec-5-en-2-ol
CID 91383735
(7S)-6-methyloct-3-ene-1,7-diol
CID 90781345
(E)-6-methyloct-3-ene-1,1,7-triol
CID 88993086
methane;(E,2S,3R)-3-methylhept-5-en-2-ol;(2S,3R)-3-methylundecan-2-ol;(E,2S,3R)-3-methylundec-5-en-2-ol
CID 161173230
3-methylnon-5-en-2-yl acetate
CID 91134624
(E)-3,7-dimethyloct-5-en-2-ol
CID 138394974
2-bromooct-4-ene
CID 142101254
(E,2R)-non-4-en-2-ol
CID 131232400
(5Z)-3-methylnona-1,5-diene
CID 145064168
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-3-methylnon-5-en-2-ol?
The IUPAC name of (E,2S,3R)-3-methylnon-5-en-2-ol (CID 122413916) is (E,2S,3R)-3-methylnon-5-en-2-ol.
What is the SMILES notation for (E,2S,3R)-3-methylnon-5-en-2-ol?
The canonical SMILES for (E,2S,3R)-3-methylnon-5-en-2-ol is CCC/C=C/C[C@@H](C)[C@H](C)O.
What is the InChIKey of (E,2S,3R)-3-methylnon-5-en-2-ol?
The InChIKey is IHKVEXLKKQQHAD-YJOJJWFDSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-6-7-8-9(2)10(3)11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+/t9-,10+/m1/s1.
What are the key properties of (E,2S,3R)-3-methylnon-5-en-2-ol?
(E,2S,3R)-3-methylnon-5-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-3-methylnon-5-en-2-ol is sourced from PubChem (CID 122413916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).