(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene

C9H8Br2O — CID 134985999

IUPAC(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene
SMILESCOc1cccc(=C/Br)/c1=C\Br
InChIInChI=1S/C9H8Br2O/c1-12-9-4-2-3-7(5-10)8(9)6-11/h2-6H,1H3/b7-5-,8-6+
InChIKeyMSCVEKCZZSMWAP-CGXWXWIYSA-N
MW291.97 g/mol
LogP1.96
Rot. Bonds1

About (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene

(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene (PubChem CID 134985999) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene
PubChem CID134985999
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene
SMILESCOc1cccc(=C/Br)/c1=C\Br
InChIInChI=1S/C9H8Br2O/c1-12-9-4-2-3-7(5-10)8(9)6-11/h2-6H,1H3/b7-5-,8-6+
InChIKeyMSCVEKCZZSMWAP-CGXWXWIYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene?
The IUPAC name of (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene (CID 134985999) is (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene.
What is the SMILES notation for (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene?
The canonical SMILES for (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene is COc1cccc(=C/Br)/c1=C\Br.
What is the InChIKey of (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene?
The InChIKey is MSCVEKCZZSMWAP-CGXWXWIYSA-N. The full InChI is InChI=1S/C9H8Br2O/c1-12-9-4-2-3-7(5-10)8(9)6-11/h2-6H,1H3/b7-5-,8-6+.
What are the key properties of (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene?
(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene has a molecular weight of 291.97 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 134985999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).