(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene

C12H19BrO — CID 15657332

IUPAC(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene
SMILESC=CCOC/C(Br)=C/C=C/C(C)(C)C
InChIInChI=1S/C12H19BrO/c1-5-9-14-10-11(13)7-6-8-12(2,3)4/h5-8H,1,9-10H2,2-4H3/b8-6+,11-7-
InChIKeyKZWNSAFJQXPYRL-VJUDZZRDSA-N
MW259.19 g/mol
LogP4.07
Rot. Bonds5

About (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene

(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene (PubChem CID 15657332) has the molecular formula C12H19BrO and a molecular weight of 259.19 g/mol. Its IUPAC name is (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene
PubChem CID15657332
Molecular FormulaC12H19BrO
Molecular Weight259.19 g/mol
Exact Mass258.06
IUPAC Name(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene
SMILESC=CCOC/C(Br)=C/C=C/C(C)(C)C
InChIInChI=1S/C12H19BrO/c1-5-9-14-10-11(13)7-6-8-12(2,3)4/h5-8H,1,9-10H2,2-4H3/b8-6+,11-7-
InChIKeyKZWNSAFJQXPYRL-VJUDZZRDSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene 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

(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
CID 102121537
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
CID 87625662
CID 87625662
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
2-prop-2-enoxyacetate
CID 19028340
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
2-hydroperoxy-2-methyl-4-prop-2-enoxybutan-1-ol
CID 101482097
Potassium allyloxide
CID 87828396
(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene?
The IUPAC name of (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene (CID 15657332) is (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene is C=CCOC/C(Br)=C/C=C/C(C)(C)C.
What is the InChIKey of (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene?
The InChIKey is KZWNSAFJQXPYRL-VJUDZZRDSA-N. The full InChI is InChI=1S/C12H19BrO/c1-5-9-14-10-11(13)7-6-8-12(2,3)4/h5-8H,1,9-10H2,2-4H3/b8-6+,11-7-.
What are the key properties of (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene?
(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene has a molecular weight of 259.19 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene is sourced from PubChem (CID 15657332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).