(Z)-6-chloro-1,1-dimethoxyhex-3-ene

C8H15ClO2 — CID 163205427

IUPAC(Z)-6-chloro-1,1-dimethoxyhex-3-ene
SMILESCOC(C/C=C\CCCl)OC
InChIInChI=1S/C8H15ClO2/c1-10-8(11-2)6-4-3-5-7-9/h3-4,8H,5-7H2,1-2H3/b4-3-
InChIKeyHRDMTHFZOKIRLO-ARJAWSKDSA-N
MW178.66 g/mol
LogP2.18
Rot. Bonds6

About (Z)-6-chloro-1,1-dimethoxyhex-3-ene

(Z)-6-chloro-1,1-dimethoxyhex-3-ene (PubChem CID 163205427) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is (Z)-6-chloro-1,1-dimethoxyhex-3-ene.

Molecular Properties

Compound Name(Z)-6-chloro-1,1-dimethoxyhex-3-ene
PubChem CID163205427
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name(Z)-6-chloro-1,1-dimethoxyhex-3-ene
SMILESCOC(C/C=C\CCCl)OC
InChIInChI=1S/C8H15ClO2/c1-10-8(11-2)6-4-3-5-7-9/h3-4,8H,5-7H2,1-2H3/b4-3-
InChIKeyHRDMTHFZOKIRLO-ARJAWSKDSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.18
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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Related Compounds

(E)-6,6-dimethoxyhex-3-en-1-ol
CID 163205453
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
CID 102155570
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126
5,5-dimethoxypent-2-enylphosphonic acid
CID 174637518
methyl 5,5-dimethoxypent-2-enoate
CID 71373953
magnesium;(Z)-1-chlorohex-3-ene;hydride
CID 174710769
1-methoxy-1-propoxyhex-3-ene
CID 141349600
(E)-5-chloropent-2-ene-1-thiol
CID 88600792
(Z)-6-chloro-1,1-dimethoxyhex-2-ene
CID 146574511
5-chloro-5-methoxypent-2-ene
CID 173279863

Frequently Asked Questions

What is the IUPAC name of (Z)-6-chloro-1,1-dimethoxyhex-3-ene?
The IUPAC name of (Z)-6-chloro-1,1-dimethoxyhex-3-ene (CID 163205427) is (Z)-6-chloro-1,1-dimethoxyhex-3-ene.
What is the SMILES notation for (Z)-6-chloro-1,1-dimethoxyhex-3-ene?
The canonical SMILES for (Z)-6-chloro-1,1-dimethoxyhex-3-ene is COC(C/C=C\CCCl)OC.
What is the InChIKey of (Z)-6-chloro-1,1-dimethoxyhex-3-ene?
The InChIKey is HRDMTHFZOKIRLO-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H15ClO2/c1-10-8(11-2)6-4-3-5-7-9/h3-4,8H,5-7H2,1-2H3/b4-3-.
What are the key properties of (Z)-6-chloro-1,1-dimethoxyhex-3-ene?
(Z)-6-chloro-1,1-dimethoxyhex-3-ene has a molecular weight of 178.66 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-chloro-1,1-dimethoxyhex-3-ene is sourced from PubChem (CID 163205427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).