(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene

C12H23BrO2 — CID 10967877

IUPAC(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene
SMILESCC(C)OC(C/C=C\CCBr)OC(C)C
InChIInChI=1S/C12H23BrO2/c1-10(2)14-12(15-11(3)4)8-6-5-7-9-13/h5-6,10-12H,7-9H2,1-4H3/b6-5-
InChIKeyHOUFPTLPPJIRNI-WAYWQWQTSA-N
MW279.22 g/mol
LogP3.89
Rot. Bonds8

About (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene

(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene (PubChem CID 10967877) has the molecular formula C12H23BrO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene.

Molecular Properties

Compound Name(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene
PubChem CID10967877
Molecular FormulaC12H23BrO2
Molecular Weight279.22 g/mol
Exact Mass278.09
IUPAC Name(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene
SMILESCC(C)OC(C/C=C\CCBr)OC(C)C
InChIInChI=1S/C12H23BrO2/c1-10(2)14-12(15-11(3)4)8-6-5-7-9-13/h5-6,10-12H,7-9H2,1-4H3/b6-5-
InChIKeyHOUFPTLPPJIRNI-WAYWQWQTSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.89
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'}

Analyze (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-4-(2-bromo-1-ethoxyethoxy)nona-1,5-diene
CID 134936737
(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene
CID 134986080
(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene
CID 11791321
(Z)-6-bromo-1,1-diethoxyhex-3-ene
CID 15851979
(E)-2-(2-bromoethyl)-5-but-1-enyl-1,3-dioxane
CID 22910718
2-(2-Bromoethyl)-5-but-1-enyl-1,3-dioxane
CID 54385907
7-Bromo-6-(1-butoxyethoxy)-2-methylhept-2-ene
CID 88752232
7-Bromo-6-(1-ethoxyethoxy)-2-methylhept-2-ene
CID 88752617
7-Bromo-6-(1-methoxyethoxy)-2-methylhept-2-ene
CID 88753326
5-Bromo-5-(3,3-diethoxypropoxy)-2-methylpent-2-ene
CID 89266927
8-Bromo-1-(ethoxymethoxy)oct-3-ene
CID 163204915
8-Bromo-1-(methoxymethoxy)oct-3-ene
CID 163204916

Frequently Asked Questions

What is the IUPAC name of (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene?
The IUPAC name of (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene (CID 10967877) is (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene.
What is the SMILES notation for (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene?
The canonical SMILES for (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene is CC(C)OC(C/C=C\CCBr)OC(C)C.
What is the InChIKey of (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene?
The InChIKey is HOUFPTLPPJIRNI-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H23BrO2/c1-10(2)14-12(15-11(3)4)8-6-5-7-9-13/h5-6,10-12H,7-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene?
(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene has a molecular weight of 279.22 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene is sourced from PubChem (CID 10967877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).