1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene

C14H24Cl2O3 — CID 175229318

IUPAC1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
SMILESClCCC=CCCOCOCOCCC=CCCCl
InChIInChI=1S/C14H24Cl2O3/c15-9-5-1-3-7-11-17-13-19-14-18-12-8-4-2-6-10-16/h1-4H,5-14H2
InChIKeyJMQSFFXLIAJVFC-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.10
Rot. Bonds14

About 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene

1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene (PubChem CID 175229318) has the molecular formula C14H24Cl2O3 and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene.

Molecular Properties

Compound Name1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
PubChem CID175229318
Molecular FormulaC14H24Cl2O3
Molecular Weight311.25 g/mol
Exact Mass310.11
IUPAC Name1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
SMILESClCCC=CCCOCOCOCCC=CCCCl
InChIInChI=1S/C14H24Cl2O3/c15-9-5-1-3-7-11-17-13-19-14-18-12-8-4-2-6-10-16/h1-4H,5-14H2
InChIKeyJMQSFFXLIAJVFC-UHFFFAOYSA-N
XLogP4.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-1-chloro-6-[[(Z)-6-chlorohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229333
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229356
1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
CID 3371850
(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
CID 163205102
4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
CID 91512187
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159
magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
CID 163204805
magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
CID 163204941
4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
CID 57202172
(E)-5-chloropent-2-ene-1-thiol
CID 88600792
1-(ethoxymethoxy)-13-iodotridec-3-ene
CID 163205082

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene?
The IUPAC name of 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene (CID 175229318) is 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene.
What is the SMILES notation for 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene?
The canonical SMILES for 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene is ClCCC=CCCOCOCOCCC=CCCCl.
What is the InChIKey of 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene?
The InChIKey is JMQSFFXLIAJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2O3/c15-9-5-1-3-7-11-17-13-19-14-18-12-8-4-2-6-10-16/h1-4H,5-14H2.
What are the key properties of 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene?
1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene has a molecular weight of 311.25 g/mol, XLogP of 4.10, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene is sourced from PubChem (CID 175229318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).