(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene

C9H15BrO — CID 145079816

IUPAC(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene
SMILESC/C=C\C(=C/C)COCCBr
InChIInChI=1S/C9H15BrO/c1-3-5-9(4-2)8-11-7-6-10/h3-5H,6-8H2,1-2H3/b5-3-,9-4+
InChIKeyCVBBTSMWJNFXOV-LWUTYWFWSA-N
MW219.12 g/mol
LogP2.92
Rot. Bonds5

About (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene

(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene (PubChem CID 145079816) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene
PubChem CID145079816
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene
SMILESC/C=C\C(=C/C)COCCBr
InChIInChI=1S/C9H15BrO/c1-3-5-9(4-2)8-11-7-6-10/h3-5H,6-8H2,1-2H3/b5-3-,9-4+
InChIKeyCVBBTSMWJNFXOV-LWUTYWFWSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(2-bromoethoxymethyl)penta-1,3-diene;ethene
CID 177023060
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol
CID 143642417
(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene
CID 143973281
ethane;(Z,2E)-2-ethylidenepent-3-ene-1-thiol
CID 143332948
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(Z,2E)-2-ethylidenepent-3-en-1-ol;methanol
CID 144920748
1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
CID 88575510
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
heptadecan-9-yl 8-[2-[5-[2-[2-[(Z,2E)-2-ethylidenepent-3-enoxy]ethoxy]ethoxy]pentoxymethyl]-3-(8-oxoundecoxy)propoxy]octanoate
CID 170008877
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene?
The IUPAC name of (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene (CID 145079816) is (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene?
The canonical SMILES for (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene is C/C=C\C(=C/C)COCCBr.
What is the InChIKey of (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene?
The InChIKey is CVBBTSMWJNFXOV-LWUTYWFWSA-N. The full InChI is InChI=1S/C9H15BrO/c1-3-5-9(4-2)8-11-7-6-10/h3-5H,6-8H2,1-2H3/b5-3-,9-4+.
What are the key properties of (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene?
(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene has a molecular weight of 219.12 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene is sourced from PubChem (CID 145079816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).