(Z)-6-chloro-1,1-dimethoxyhex-2-ene

C8H15ClO2 — CID 146574511

IUPAC(Z)-6-chloro-1,1-dimethoxyhex-2-ene
SMILESCOC(/C=C\CCCCl)OC
InChIInChI=1S/C8H15ClO2/c1-10-8(11-2)6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3/b6-4-
InChIKeyKTANWKYWINHUKD-XQRVVYSFSA-N
MW178.66 g/mol
LogP2.18
Rot. Bonds6

About (Z)-6-chloro-1,1-dimethoxyhex-2-ene

(Z)-6-chloro-1,1-dimethoxyhex-2-ene (PubChem CID 146574511) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is (Z)-6-chloro-1,1-dimethoxyhex-2-ene.

Molecular Properties

Compound Name(Z)-6-chloro-1,1-dimethoxyhex-2-ene
PubChem CID146574511
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name(Z)-6-chloro-1,1-dimethoxyhex-2-ene
SMILESCOC(/C=C\CCCCl)OC
InChIInChI=1S/C8H15ClO2/c1-10-8(11-2)6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3/b6-4-
InChIKeyKTANWKYWINHUKD-XQRVVYSFSA-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': '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

1,1-dimethoxynon-2-ene
CID 71435649
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
8-chlorooct-4-en-3-ol
CID 71392279
1,13,13-trimethoxy-1-(1,13,13-trimethoxytridec-2-enoxy)tridec-2-ene
CID 162350366
(E)-1,1,4-trimethoxybut-2-ene
CID 10486990
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
[(E)-5-chloropent-1-enyl]-trimethylsilane
CID 12633074
(Z)-7-chlorohept-3-ene
CID 12513367
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid
CID 11011065
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549

Frequently Asked Questions

What is the IUPAC name of (Z)-6-chloro-1,1-dimethoxyhex-2-ene?
The IUPAC name of (Z)-6-chloro-1,1-dimethoxyhex-2-ene (CID 146574511) is (Z)-6-chloro-1,1-dimethoxyhex-2-ene.
What is the SMILES notation for (Z)-6-chloro-1,1-dimethoxyhex-2-ene?
The canonical SMILES for (Z)-6-chloro-1,1-dimethoxyhex-2-ene is COC(/C=C\CCCCl)OC.
What is the InChIKey of (Z)-6-chloro-1,1-dimethoxyhex-2-ene?
The InChIKey is KTANWKYWINHUKD-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15ClO2/c1-10-8(11-2)6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of (Z)-6-chloro-1,1-dimethoxyhex-2-ene?
(Z)-6-chloro-1,1-dimethoxyhex-2-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-2-ene is sourced from PubChem (CID 146574511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).