(E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene

C9H17ClO2 — CID 15652064

IUPAC(E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene
SMILESCOCOC(/C=C/CCl)C(C)C
InChIInChI=1S/C9H17ClO2/c1-8(2)9(5-4-6-10)12-7-11-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKeyPUMSGCCQTDIORG-SNAWJCMRSA-N
MW192.69 g/mol
LogP2.43
Rot. Bonds6

About (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene

(E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene (PubChem CID 15652064) has the molecular formula C9H17ClO2 and a molecular weight of 192.69 g/mol. Its IUPAC name is (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene
PubChem CID15652064
Molecular FormulaC9H17ClO2
Molecular Weight192.69 g/mol
Exact Mass192.09
IUPAC Name(E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene
SMILESCOCOC(/C=C/CCl)C(C)C
InChIInChI=1S/C9H17ClO2/c1-8(2)9(5-4-6-10)12-7-11-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKeyPUMSGCCQTDIORG-SNAWJCMRSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene?
The IUPAC name of (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene (CID 15652064) is (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene.
What is the SMILES notation for (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene?
The canonical SMILES for (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene is COCOC(/C=C/CCl)C(C)C.
What is the InChIKey of (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene?
The InChIKey is PUMSGCCQTDIORG-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17ClO2/c1-8(2)9(5-4-6-10)12-7-11-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene?
(E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene has a molecular weight of 192.69 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-4-(methoxymethoxy)-5-methylhex-2-ene is sourced from PubChem (CID 15652064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).