(E)-8-methylnon-6-enoyl chloride

C10H17ClO — CID 6442332

IUPAC(E)-8-methylnon-6-enoyl chloride
SMILESCC(C)/C=C/CCCCC(=O)Cl
InChIInChI=1S/C10H17ClO/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyJDZRIGWDAPNYLT-FNORWQNLSA-N
MW188.70 g/mol
LogP3.52
Rot. Bonds6

About (E)-8-methylnon-6-enoyl chloride

(E)-8-methylnon-6-enoyl chloride (PubChem CID 6442332) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is (E)-8-methylnon-6-enoyl chloride.

Molecular Properties

Compound Name(E)-8-methylnon-6-enoyl chloride
PubChem CID6442332
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name(E)-8-methylnon-6-enoyl chloride
SMILESCC(C)/C=C/CCCCC(=O)Cl
InChIInChI=1S/C10H17ClO/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyJDZRIGWDAPNYLT-FNORWQNLSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-methylnon-6-enoyl chloride?
The IUPAC name of (E)-8-methylnon-6-enoyl chloride (CID 6442332) is (E)-8-methylnon-6-enoyl chloride.
What is the SMILES notation for (E)-8-methylnon-6-enoyl chloride?
The canonical SMILES for (E)-8-methylnon-6-enoyl chloride is CC(C)/C=C/CCCCC(=O)Cl.
What is the InChIKey of (E)-8-methylnon-6-enoyl chloride?
The InChIKey is JDZRIGWDAPNYLT-FNORWQNLSA-N. The full InChI is InChI=1S/C10H17ClO/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of (E)-8-methylnon-6-enoyl chloride?
(E)-8-methylnon-6-enoyl chloride has a molecular weight of 188.70 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methylnon-6-enoyl chloride is sourced from PubChem (CID 6442332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).