(E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene

C10H19ClO2 — CID 15652067

IUPAC(E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene
SMILESCOCOC(/C=C/CCl)C(C)(C)C
InChIInChI=1S/C10H19ClO2/c1-10(2,3)9(6-5-7-11)13-8-12-4/h5-6,9H,7-8H2,1-4H3/b6-5+
InChIKeyHNVYPUNNLRTZEO-AATRIKPKSA-N
MW206.71 g/mol
LogP2.82
Rot. Bonds5

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

(E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene (PubChem CID 15652067) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene
PubChem CID15652067
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name(E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene
SMILESCOCOC(/C=C/CCl)C(C)(C)C
InChIInChI=1S/C10H19ClO2/c1-10(2,3)9(6-5-7-11)13-8-12-4/h5-6,9H,7-8H2,1-4H3/b6-5+
InChIKeyHNVYPUNNLRTZEO-AATRIKPKSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.82
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene?
The IUPAC name of (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene (CID 15652067) is (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene.
What is the SMILES notation for (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene?
The canonical SMILES for (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene is COCOC(/C=C/CCl)C(C)(C)C.
What is the InChIKey of (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene?
The InChIKey is HNVYPUNNLRTZEO-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-10(2,3)9(6-5-7-11)13-8-12-4/h5-6,9H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene?
(E)-1-chloro-4-(methoxymethoxy)-5,5-dimethylhex-2-ene has a molecular weight of 206.71 g/mol, XLogP of 2.82, 5 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)-5,5-dimethylhex-2-ene is sourced from PubChem (CID 15652067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).