(E)-9-chloro-2-methylnon-5-en-3-ol

C10H19ClO — CID 102471897

IUPAC(E)-9-chloro-2-methylnon-5-en-3-ol
SMILESCC(C)C(O)C/C=C/CCCCl
InChIInChI=1S/C10H19ClO/c1-9(2)10(12)7-5-3-4-6-8-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+
InChIKeyJGQFPGNBXZTOIU-HWKANZROSA-N
MW190.71 g/mol
LogP2.97
Rot. Bonds6

About (E)-9-chloro-2-methylnon-5-en-3-ol

(E)-9-chloro-2-methylnon-5-en-3-ol (PubChem CID 102471897) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (E)-9-chloro-2-methylnon-5-en-3-ol.

Molecular Properties

Compound Name(E)-9-chloro-2-methylnon-5-en-3-ol
PubChem CID102471897
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(E)-9-chloro-2-methylnon-5-en-3-ol
SMILESCC(C)C(O)C/C=C/CCCCl
InChIInChI=1S/C10H19ClO/c1-9(2)10(12)7-5-3-4-6-8-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+
InChIKeyJGQFPGNBXZTOIU-HWKANZROSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene
CID 10402593
(E,2R)-non-4-en-2-ol
CID 131232400
(E)-8-chloro-1-phenyloct-4-en-2-ol
CID 102471896
(E)-1,10-dichlorodec-5-ene
CID 12889943
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
1-chlorotridec-4-ene
CID 54390291
(E)-heptadec-9-ene-6,7-diol
CID 173310595
1,17-dichloroheptadec-8-ene
CID 168864753
(2S,5Z,8Z,11Z,14Z,17Z,20Z,29S)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
CID 5468255

Frequently Asked Questions

What is the IUPAC name of (E)-9-chloro-2-methylnon-5-en-3-ol?
The IUPAC name of (E)-9-chloro-2-methylnon-5-en-3-ol (CID 102471897) is (E)-9-chloro-2-methylnon-5-en-3-ol.
What is the SMILES notation for (E)-9-chloro-2-methylnon-5-en-3-ol?
The canonical SMILES for (E)-9-chloro-2-methylnon-5-en-3-ol is CC(C)C(O)C/C=C/CCCCl.
What is the InChIKey of (E)-9-chloro-2-methylnon-5-en-3-ol?
The InChIKey is JGQFPGNBXZTOIU-HWKANZROSA-N. The full InChI is InChI=1S/C10H19ClO/c1-9(2)10(12)7-5-3-4-6-8-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-9-chloro-2-methylnon-5-en-3-ol?
(E)-9-chloro-2-methylnon-5-en-3-ol has a molecular weight of 190.71 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-chloro-2-methylnon-5-en-3-ol is sourced from PubChem (CID 102471897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).