(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene

C13H15BrO — CID 143422303

IUPAC(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene
SMILESC=c1c(Br)ccc(OC)/c1=C/C/C=C\C
InChIInChI=1S/C13H15BrO/c1-4-5-6-7-11-10(2)12(14)8-9-13(11)15-3/h4-5,7-9H,2,6H2,1,3H3/b5-4-,11-7+
InChIKeyVLQKOEUOANTYMP-DNFZQOLXSA-N
MW267.17 g/mol
LogP2.61
Rot. Bonds3

About (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene

(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene (PubChem CID 143422303) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene
PubChem CID143422303
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene
SMILESC=c1c(Br)ccc(OC)/c1=C/C/C=C\C
InChIInChI=1S/C13H15BrO/c1-4-5-6-7-11-10(2)12(14)8-9-13(11)15-3/h4-5,7-9H,2,6H2,1,3H3/b5-4-,11-7+
InChIKeyVLQKOEUOANTYMP-DNFZQOLXSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-4-methoxybenzene
CID 19913455
6-[(E)-1-bromo-3-fluorobut-1-enyl]-5-ethyl-2H-pyran
CID 142869295
5-Bromo-1-fluoro-3,5-dimethoxycyclohexa-1,3-diene
CID 154437870
(1Z,7Z,9Z,11Z)-9,10-dibromo-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 11304739
1-Methoxy-2,5-dihydropropenylbenzene
CID 129805432
5-Bromo-4-methoxy-1,2-dimethylcyclohepta-1,3,5-triene
CID 134865189
4-Bromo-5-methoxy-1,2-dimethylcyclohepta-1,3,5-triene
CID 134865256
4-Bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
CID 134982344
(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene
CID 134985999
1,4-Dibromoanisole
CID 19431965
1-Bromo-2-methoxycyclohexa-1,3-diene
CID 20028694
1-Bromo-2-methoxycyclohepta-1,3-diene
CID 22153816

Frequently Asked Questions

What is the IUPAC name of (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene?
The IUPAC name of (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene (CID 143422303) is (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene is C=c1c(Br)ccc(OC)/c1=C/C/C=C\C.
What is the InChIKey of (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene?
The InChIKey is VLQKOEUOANTYMP-DNFZQOLXSA-N. The full InChI is InChI=1S/C13H15BrO/c1-4-5-6-7-11-10(2)12(14)8-9-13(11)15-3/h4-5,7-9H,2,6H2,1,3H3/b5-4-,11-7+.
What are the key properties of (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene?
(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene has a molecular weight of 267.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 143422303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).