(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride

C10H20Cl2O — CID 87492673

IUPAC(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride
SMILESC=CCC[C@H](C)CC[C@H](O)CCl.Cl
InChIInChI=1S/C10H19ClO.ClH/c1-3-4-5-9(2)6-7-10(12)8-11;/h3,9-10,12H,1,4-8H2,2H3;1H/t9-,10-;/m0./s1
InChIKeyOFWJZFWXLOECQX-IYPAPVHQSA-N
MW227.17 g/mol
LogP3.39
Rot. Bonds7

About (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride

(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride (PubChem CID 87492673) has the molecular formula C10H20Cl2O and a molecular weight of 227.17 g/mol. Its IUPAC name is (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride
PubChem CID87492673
Molecular FormulaC10H20Cl2O
Molecular Weight227.17 g/mol
Exact Mass226.09
IUPAC Name(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride
SMILESC=CCC[C@H](C)CC[C@H](O)CCl.Cl
InChIInChI=1S/C10H19ClO.ClH/c1-3-4-5-9(2)6-7-10(12)8-11;/h3,9-10,12H,1,4-8H2,2H3;1H/t9-,10-;/m0./s1
InChIKeyOFWJZFWXLOECQX-IYPAPVHQSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride?
The IUPAC name of (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride (CID 87492673) is (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride.
What is the SMILES notation for (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride?
The canonical SMILES for (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride is C=CCC[C@H](C)CC[C@H](O)CCl.Cl.
What is the InChIKey of (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride?
The InChIKey is OFWJZFWXLOECQX-IYPAPVHQSA-N. The full InChI is InChI=1S/C10H19ClO.ClH/c1-3-4-5-9(2)6-7-10(12)8-11;/h3,9-10,12H,1,4-8H2,2H3;1H/t9-,10-;/m0./s1.
What are the key properties of (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride?
(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride has a molecular weight of 227.17 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride is sourced from PubChem (CID 87492673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).