(E)-1-(butoxymethoxy)-6-chlorohex-3-ene

C11H21ClO2 — CID 163205166

IUPAC(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
SMILESCCCCOCOCC/C=C/CCCl
InChIInChI=1S/C11H21ClO2/c1-2-3-9-13-11-14-10-7-5-4-6-8-12/h4-5H,2-3,6-11H2,1H3/b5-4+
InChIKeyYYZPDGPUROGWQB-SNAWJCMRSA-N
MW220.74 g/mol
LogP3.35
Rot. Bonds10

About (E)-1-(butoxymethoxy)-6-chlorohex-3-ene

(E)-1-(butoxymethoxy)-6-chlorohex-3-ene (PubChem CID 163205166) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is (E)-1-(butoxymethoxy)-6-chlorohex-3-ene.

Molecular Properties

Compound Name(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
PubChem CID163205166
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
SMILESCCCCOCOCC/C=C/CCCl
InChIInChI=1S/C11H21ClO2/c1-2-3-9-13-11-14-10-7-5-4-6-8-12/h4-5H,2-3,6-11H2,1H3/b5-4+
InChIKeyYYZPDGPUROGWQB-SNAWJCMRSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
CID 175229318
(Z)-1-chloro-6-[[(Z)-6-chlorohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229333
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
CID 163204937
lithium 1-(hex-3-enoxymethoxy)heptane
CID 175218624
lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
CID 163204789
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
(E)-1,4-dibutoxybut-1-ene
CID 15357022
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779

Frequently Asked Questions

What is the IUPAC name of (E)-1-(butoxymethoxy)-6-chlorohex-3-ene?
The IUPAC name of (E)-1-(butoxymethoxy)-6-chlorohex-3-ene (CID 163205166) is (E)-1-(butoxymethoxy)-6-chlorohex-3-ene.
What is the SMILES notation for (E)-1-(butoxymethoxy)-6-chlorohex-3-ene?
The canonical SMILES for (E)-1-(butoxymethoxy)-6-chlorohex-3-ene is CCCCOCOCC/C=C/CCCl.
What is the InChIKey of (E)-1-(butoxymethoxy)-6-chlorohex-3-ene?
The InChIKey is YYZPDGPUROGWQB-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-2-3-9-13-11-14-10-7-5-4-6-8-12/h4-5H,2-3,6-11H2,1H3/b5-4+.
What are the key properties of (E)-1-(butoxymethoxy)-6-chlorohex-3-ene?
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene has a molecular weight of 220.74 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(butoxymethoxy)-6-chlorohex-3-ene is sourced from PubChem (CID 163205166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).