(Z)-2-(2-chloroethoxy)-4-methylhex-3-ene

C9H17ClO — CID 134981212

IUPAC(Z)-2-(2-chloroethoxy)-4-methylhex-3-ene
SMILESCC/C(C)=C\C(C)OCCCl
InChIInChI=1S/C9H17ClO/c1-4-8(2)7-9(3)11-6-5-10/h7,9H,4-6H2,1-3H3/b8-7-
InChIKeyOQZOTBQWTXLQMD-FPLPWBNLSA-N
MW176.69 g/mol
LogP2.99
Rot. Bonds5

About (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene

(Z)-2-(2-chloroethoxy)-4-methylhex-3-ene (PubChem CID 134981212) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene.

Molecular Properties

Compound Name(Z)-2-(2-chloroethoxy)-4-methylhex-3-ene
PubChem CID134981212
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name(Z)-2-(2-chloroethoxy)-4-methylhex-3-ene
SMILESCC/C(C)=C\C(C)OCCCl
InChIInChI=1S/C9H17ClO/c1-4-8(2)7-9(3)11-6-5-10/h7,9H,4-6H2,1-3H3/b8-7-
InChIKeyOQZOTBQWTXLQMD-FPLPWBNLSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.99
H-Bond Donors ≤ 50
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 (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene?
The IUPAC name of (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene (CID 134981212) is (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene.
What is the SMILES notation for (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene?
The canonical SMILES for (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene is CC/C(C)=C\C(C)OCCCl.
What is the InChIKey of (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene?
The InChIKey is OQZOTBQWTXLQMD-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17ClO/c1-4-8(2)7-9(3)11-6-5-10/h7,9H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene?
(Z)-2-(2-chloroethoxy)-4-methylhex-3-ene has a molecular weight of 176.69 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-chloroethoxy)-4-methylhex-3-ene is sourced from PubChem (CID 134981212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).